CID 3615

Alpha-methylhistamine

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

374
References

3282
Patents

125.0953 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 126.4
[M+Na]+ 148.08452 133.4
[M-H]- 124.08802 125.5
[M+NH4]+ 143.12912 146.4
[M+K]+ 164.05846 131.6
[M+H-H2O]+ 108.09256 119.4
[M+HCOO]- 170.09350 147.9
[M+CH3COO]- 184.10915 170.1
[M+Na-2H]- 146.06997 131.4
[M]+ 125.09475 122.6
[M]- 125.09585 122.6
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