CID 3614

1-methylhistamine

Structural Information

Molecular Formula
C6H11N3
SMILES
CN1C=C(N=C1)CCN
InChI
InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
InChIKey
FHQDWPCFSJMNCT-UHFFFAOYSA-N
Compound name
2-(1-methylimidazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

195
References

2254
Patents

125.0953 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 124.9
[M+Na]+ 148.084518 133.6
[M-H]- 124.088024 125.7
[M+NH4]+ 143.129123 146.0
[M+K]+ 164.058458 132.2
[M+H-H2O]+ 108.092560 117.9
[M+HCOO]- 170.093501 149.0
[M+CH3COO]- 184.109151 173.0
[M+Na-2H]- 146.069966 131.0
[M]+ 125.09475142 124.1
[M]- 125.09584858 124.1
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