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 147.8
[M+Na]+ 231.12164 157.4
[M+NH4]+ 226.16624 154.3
[M+K]+ 247.09558 156.5
[M-H]- 207.12514 148.8
[M+Na-2H]- 229.10709 151.4
[M]+ 208.13187 149.0
[M]- 208.13297 149.0
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.