CID 83531922

1-(2-cyclopropyl-1h-1,3-benzodiazol-5-yl)ethan-1-amine

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]+ 202.133876 144.8
[M+Na]+ 224.115818 155.7
[M-H]- 200.119324 149.4
[M+NH4]+ 219.160423 158.6
[M+K]+ 240.089758 149.5
[M+H-H2O]+ 184.123860 137.6
[M+HCOO]- 246.124801 166.4
[M+CH3COO]- 260.140451 157.1
[M+Na-2H]- 222.101266 149.7
[M]+ 201.12605142 145.6
[M]- 201.12714858 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.