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]+ 209.13970 147.5
[M+Na]+ 231.12164 156.5
[M-H]- 207.12514 150.7
[M+NH4]+ 226.16624 165.9
[M+K]+ 247.09558 153.9
[M+H-H2O]+ 191.12968 139.4
[M+HCOO]- 253.13062 168.7
[M+CH3COO]- 267.14627 189.2
[M+Na-2H]- 229.10709 147.0
[M]+ 208.13187 146.0
[M]- 208.13297 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.