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

0
Patents

215.14224 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 150.6
[M+Na]+ 238.13146 161.7
[M-H]- 214.13496 156.1
[M+NH4]+ 233.17606 164.4
[M+K]+ 254.10540 155.6
[M+H-H2O]+ 198.13950 142.6
[M+HCOO]- 260.14044 174.1
[M+CH3COO]- 274.15609 163.0
[M+Na-2H]- 236.11691 156.2
[M]+ 215.14169 153.8
[M]- 215.14279 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.