CID 28303764

1-(1-butyl-1h-1,3-benzodiazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C12H17N3
SMILES
CCCCN1C2=CC=CC=C2N=C1CN
InChI
InChI=1S/C12H17N3/c1-2-3-8-15-11-7-5-4-6-10(11)14-12(15)9-13/h4-7H,2-3,8-9,13H2,1H3
InChIKey
IWAOMTSHPLOITJ-UHFFFAOYSA-N
Compound name
(1-butylbenzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.149516 145.7
[M+Na]+ 226.131458 155.4
[M-H]- 202.134964 147.5
[M+NH4]+ 221.176063 165.1
[M+K]+ 242.105398 151.2
[M+H-H2O]+ 186.139500 138.1
[M+HCOO]- 248.140441 169.2
[M+CH3COO]- 262.156091 189.3
[M+Na-2H]- 224.116906 151.9
[M]+ 203.14169142 147.8
[M]- 203.14278858 147.8
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.