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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.