CID 82604111

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

Structural Information

Molecular Formula
C10H13N3O
SMILES
CN1C2=CC=CC(=C2N(C1=O)C)CN
InChI
InChI=1S/C10H13N3O/c1-12-8-5-3-4-7(6-11)9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3
InChIKey
OTBSBCPRVDHUKZ-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1,3-dimethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 139.4
[M+Na]+ 214.09509 152.0
[M-H]- 190.09859 142.5
[M+NH4]+ 209.13969 159.8
[M+K]+ 230.06903 148.2
[M+H-H2O]+ 174.10313 132.8
[M+HCOO]- 236.10407 163.9
[M+CH3COO]- 250.11972 186.9
[M+Na-2H]- 212.08054 145.2
[M]+ 191.10532 142.3
[M]- 191.10642 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.