CID 65037950

(1-cyclopropyl-2-ethyl-1h-1,3-benzodiazol-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
CCC1=NC2=C(N1C3CC3)C=CC(=C2)CN
InChI
InChI=1S/C13H17N3/c1-2-13-15-11-7-9(8-14)3-6-12(11)16(13)10-4-5-10/h3,6-7,10H,2,4-5,8,14H2,1H3
InChIKey
QKSXBVAUFLEQSR-UHFFFAOYSA-N
Compound name
(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 151.1
[M+Na]+ 238.13146 163.1
[M-H]- 214.13496 157.0
[M+NH4]+ 233.17606 165.3
[M+K]+ 254.10540 156.9
[M+H-H2O]+ 198.13950 143.4
[M+HCOO]- 260.14044 174.6
[M+CH3COO]- 274.15609 163.9
[M+Na-2H]- 236.11691 156.0
[M]+ 215.14169 154.8
[M]- 215.14279 154.8
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.