CID 65249692

2228650-07-3

Structural Information

Molecular Formula
C10H12N4
SMILES
C1C(CN1C2=NC3=CC=CC=C3N2)N
InChI
InChI=1S/C10H12N4/c11-7-5-14(6-7)10-12-8-3-1-2-4-9(8)13-10/h1-4,7H,5-6,11H2,(H,12,13)
InChIKey
XTEYOIRWTNWSNF-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 138.8
[M+Na]+ 211.095418 147.1
[M-H]- 187.098924 141.1
[M+NH4]+ 206.140023 149.9
[M+K]+ 227.069358 145.5
[M+H-H2O]+ 171.103460 125.4
[M+HCOO]- 233.104401 158.3
[M+CH3COO]- 247.120051 150.6
[M+Na-2H]- 209.080866 144.9
[M]+ 188.10565142 144.7
[M]- 188.10674858 144.7
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.