CID 28303631

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

Structural Information

Molecular Formula
C12H17N3
SMILES
CCCN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C12H17N3/c1-2-9-15-11-6-4-3-5-10(11)14-12(15)7-8-13/h3-6H,2,7-9,13H2,1H3
InChIKey
BHGLSKXLAUXOIS-UHFFFAOYSA-N
Compound name
2-(1-propylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14952 145.3
[M+Na]+ 226.13146 158.3
[M+NH4]+ 221.17606 153.8
[M+K]+ 242.10540 152.6
[M-H]- 202.13496 147.5
[M+Na-2H]- 224.11691 151.7
[M]+ 203.14169 147.7
[M]- 203.14279 147.7
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.