CID 122164147

Rac-(4r,5s)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1h-pyrazol-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CN1C=C(C=N1)[C@@H]2[C@H](CC(=O)N2CCOC)CN
InChI
InChI=1S/C12H20N4O2/c1-15-8-10(7-14-15)12-9(6-13)5-11(17)16(12)3-4-18-2/h7-9,12H,3-6,13H2,1-2H3/t9-,12+/m1/s1
InChIKey
LQFRKNHPMOTZNZ-SKDRFNHKSA-N
Compound name
(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.165906 158.8
[M+Na]+ 275.147848 166.7
[M-H]- 251.151354 161.6
[M+NH4]+ 270.192453 175.3
[M+K]+ 291.121788 164.1
[M+H-H2O]+ 235.155890 150.3
[M+HCOO]- 297.156831 179.5
[M+CH3COO]- 311.172481 197.3
[M+Na-2H]- 273.133296 157.4
[M]+ 252.15808142 159.4
[M]- 252.15917858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.