CID 469969

N-[2-(1h-benzimidazol-2-yl)ethyl]propan-2-amine

Structural Information

Molecular Formula
C12H17N3
SMILES
CC(C)NCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C12H17N3/c1-9(2)13-8-7-12-14-10-5-3-4-6-11(10)15-12/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKey
YCRBGQWMGSUQQO-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

203.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14952 146.0
[M+Na]+ 226.13146 154.0
[M-H]- 202.13496 146.7
[M+NH4]+ 221.17606 164.6
[M+K]+ 242.10540 149.7
[M+H-H2O]+ 186.13950 138.5
[M+HCOO]- 248.14044 167.7
[M+CH3COO]- 262.15609 187.1
[M+Na-2H]- 224.11691 152.3
[M]+ 203.14169 146.2
[M]- 203.14279 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe