CID 757168

5-(aminomethyl)-1,3-dimethyl-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C10H13N3O
SMILES
CN1C2=C(C=C(C=C2)CN)N(C1=O)C
InChI
InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3
InChIKey
GDVGETHSXBLPHM-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

191.10587 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 139.4
[M+Na]+ 214.095088 152.0
[M-H]- 190.098594 142.5
[M+NH4]+ 209.139693 159.8
[M+K]+ 230.069028 148.2
[M+H-H2O]+ 174.103130 132.8
[M+HCOO]- 236.104071 163.9
[M+CH3COO]- 250.119721 186.9
[M+Na-2H]- 212.080536 145.2
[M]+ 191.10532142 142.3
[M]- 191.10641858 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe