CID 82604111

2567496-76-6

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 139.5
[M+Na]+ 214.09509 153.2
[M+NH4]+ 209.13969 147.4
[M+K]+ 230.06903 148.8
[M-H]- 190.09859 141.1
[M+Na-2H]- 212.08054 145.2
[M]+ 191.10532 141.8
[M]- 191.10642 141.8
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.