CID 121553000

2307779-95-7

Structural Information

Molecular Formula
C10H16N4O
SMILES
CN1C=CN=C1[C@@H]2[C@H](CC(=O)N2C)CN
InChI
InChI=1S/C10H16N4O/c1-13-4-3-12-10(13)9-7(6-11)5-8(15)14(9)2/h3-4,7,9H,5-6,11H2,1-2H3/t7-,9+/m1/s1
InChIKey
BVDXONMNSOSTFE-APPZFPTMSA-N
Compound name
(4R,5S)-4-(aminomethyl)-1-methyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 147.5
[M+Na]+ 231.121638 156.5
[M-H]- 207.125144 150.7
[M+NH4]+ 226.166243 165.9
[M+K]+ 247.095578 153.9
[M+H-H2O]+ 191.129680 139.4
[M+HCOO]- 253.130621 168.7
[M+CH3COO]- 267.146271 189.2
[M+Na-2H]- 229.107086 147.0
[M]+ 208.13187142 146.0
[M]- 208.13296858 146.0
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.