CID 11084680

64928-71-8

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1=CC=C2C(=C1)NC(=O)N2CCCN
InChI
InChI=1S/C10H13N3O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7,11H2,(H,12,14)
InChIKey
IOBUDJJDOXQEHW-UHFFFAOYSA-N
Compound name
3-(3-aminopropyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 139.3
[M+Na]+ 214.09509 149.6
[M-H]- 190.09859 140.1
[M+NH4]+ 209.13969 158.4
[M+K]+ 230.06903 144.9
[M+H-H2O]+ 174.10313 132.3
[M+HCOO]- 236.10407 162.4
[M+CH3COO]- 250.11972 182.0
[M+Na-2H]- 212.08054 146.1
[M]+ 191.10532 139.6
[M]- 191.10642 139.6
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

patents stripe