CID 83531922

1526786-62-8

Structural Information

Molecular Formula
C12H15N3
SMILES
CC(C1=CC2=C(C=C1)N=C(N2)C3CC3)N
InChI
InChI=1S/C12H15N3/c1-7(13)9-4-5-10-11(6-9)15-12(14-10)8-2-3-8/h4-8H,2-3,13H2,1H3,(H,14,15)
InChIKey
AFYMMCOSEWYPHA-UHFFFAOYSA-N
Compound name
1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 144.8
[M+Na]+ 224.11582 155.7
[M-H]- 200.11932 149.4
[M+NH4]+ 219.16042 158.6
[M+K]+ 240.08976 149.5
[M+H-H2O]+ 184.12386 137.6
[M+HCOO]- 246.12480 166.4
[M+CH3COO]- 260.14045 157.1
[M+Na-2H]- 222.10127 149.7
[M]+ 201.12605 145.6
[M]- 201.12715 145.6
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

No patent data available for this compound.