CID 912

N(alpha)-methylhistamine

Structural Information

Molecular Formula
C6H11N3
SMILES
CNCCC1=CN=CN1
InChI
InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKey
PHSPJQZRQAJPPF-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

208
References

34047
Patents

125.0953 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 125.2
[M+Na]+ 148.084518 132.5
[M-H]- 124.088024 124.6
[M+NH4]+ 143.129123 145.5
[M+K]+ 164.058458 130.5
[M+H-H2O]+ 108.092560 118.0
[M+HCOO]- 170.093501 148.4
[M+CH3COO]- 184.109151 169.9
[M+Na-2H]- 146.069966 132.5
[M]+ 125.09475142 123.1
[M]- 125.09584858 123.1
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