CID 11457689

[(1h-imidazol-2-yl)methyl]dimethylamine

Structural Information

Molecular Formula
C6H11N3
SMILES
CN(C)CC1=NC=CN1
InChI
InChI=1S/C6H11N3/c1-9(2)5-6-7-3-4-8-6/h3-4H,5H2,1-2H3,(H,7,8)
InChIKey
SJAACDLJWHJJFO-UHFFFAOYSA-N
Compound name
1-(1H-imidazol-2-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

301
Patents

125.0953 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 125.4
[M+Na]+ 148.084518 132.9
[M-H]- 124.088024 126.4
[M+NH4]+ 143.129123 146.4
[M+K]+ 164.058458 132.3
[M+H-H2O]+ 108.092560 118.1
[M+HCOO]- 170.093501 149.1
[M+CH3COO]- 184.109151 173.4
[M+Na-2H]- 146.069966 132.0
[M]+ 125.09475142 124.5
[M]- 125.09584858 124.5
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