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]+ 234.12370 152.7
[M+Na]+ 256.10564 161.5
[M-H]- 232.10914 154.7
[M+NH4]+ 251.15024 170.4
[M+K]+ 272.07958 158.9
[M+H-H2O]+ 216.11368 145.5
[M+HCOO]- 278.11462 174.2
[M+CH3COO]- 292.13027 191.9
[M+Na-2H]- 254.09109 159.3
[M]+ 233.11587 155.3
[M]- 233.11697 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.