CID 469970

N-[(1-methylbenzimidazol-2-yl)methyl]propan-2-amine

Structural Information

Molecular Formula
C12H17N3
SMILES
CC(C)NCC1=NC2=CC=CC=C2N1C
InChI
InChI=1S/C12H17N3/c1-9(2)13-8-12-14-10-6-4-5-7-11(10)15(12)3/h4-7,9,13H,8H2,1-3H3
InChIKey
WCWMCKYLKADSIL-UHFFFAOYSA-N
Compound name
N-[(1-methylbenzimidazol-2-yl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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 146.0
[M+Na]+ 226.13146 155.3
[M-H]- 202.13496 148.5
[M+NH4]+ 221.17606 165.6
[M+K]+ 242.10540 152.0
[M+H-H2O]+ 186.13950 138.5
[M+HCOO]- 248.14044 169.1
[M+CH3COO]- 262.15609 190.8
[M+Na-2H]- 224.11691 152.0
[M]+ 203.14169 148.5
[M]- 203.14279 148.5
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