CID 63637024

2-[1-(cyclopropylmethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CC1CN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C13H17N3/c14-8-7-13-15-11-3-1-2-4-12(11)16(13)9-10-5-6-10/h1-4,10H,5-9,14H2
InChIKey
QZQHQZMQRWIGGO-UHFFFAOYSA-N
Compound name
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.14224 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 150.6
[M+Na]+ 238.131458 161.7
[M-H]- 214.134964 156.1
[M+NH4]+ 233.176063 164.4
[M+K]+ 254.105398 155.6
[M+H-H2O]+ 198.139500 142.6
[M+HCOO]- 260.140441 174.1
[M+CH3COO]- 274.156091 163.0
[M+Na-2H]- 236.116906 156.2
[M]+ 215.14169142 153.8
[M]- 215.14278858 153.8
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.