CID 28303633

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

Structural Information

Molecular Formula
C13H19N3
SMILES
CCCCN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C13H19N3/c1-2-3-10-16-12-7-5-4-6-11(12)15-13(16)8-9-14/h4-7H,2-3,8-10,14H2,1H3
InChIKey
PVPYVMGUOLHWCG-UHFFFAOYSA-N
Compound name
2-(1-butylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16518 150.3
[M+Na]+ 240.14712 159.5
[M-H]- 216.15062 152.0
[M+NH4]+ 235.19172 169.2
[M+K]+ 256.12106 155.1
[M+H-H2O]+ 200.15516 142.5
[M+HCOO]- 262.15610 173.5
[M+CH3COO]- 276.17175 192.3
[M+Na-2H]- 238.13257 156.0
[M]+ 217.15735 152.8
[M]- 217.15845 152.8
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.