CID 1713151

3-(1h-1,3-benzodiazol-2-yl)propan-1-amine

Structural Information

Molecular Formula
C10H13N3
SMILES
C1=CC=C2C(=C1)NC(=N2)CCCN
InChI
InChI=1S/C10H13N3/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7,11H2,(H,12,13)
InChIKey
FQJGVSXDQPGNMO-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

114
Patents

175.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 136.2
[M+Na]+ 198.10017 145.4
[M-H]- 174.10367 136.7
[M+NH4]+ 193.14477 155.8
[M+K]+ 214.07411 140.8
[M+H-H2O]+ 158.10821 129.1
[M+HCOO]- 220.10915 159.0
[M+CH3COO]- 234.12480 149.1
[M+Na-2H]- 196.08562 143.9
[M]+ 175.11040 135.4
[M]- 175.11150 135.4
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