CID 61925377

2137703-17-2

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(CN1C=NC2=CC=CC=C21)(C(=O)OC)N
InChI
InChI=1S/C12H15N3O2/c1-12(13,11(16)17-2)7-15-8-14-9-5-3-4-6-10(9)15/h3-6,8H,7,13H2,1-2H3
InChIKey
ZRSYRDLQDZDTQM-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(benzimidazol-1-yl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 152.7
[M+Na]+ 256.105638 161.5
[M-H]- 232.109144 154.7
[M+NH4]+ 251.150243 170.4
[M+K]+ 272.079578 158.9
[M+H-H2O]+ 216.113680 145.5
[M+HCOO]- 278.114621 174.2
[M+CH3COO]- 292.130271 191.9
[M+Na-2H]- 254.091086 159.3
[M]+ 233.11587142 155.3
[M]- 233.11696858 155.3
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.