CID 774

Histamine

Structural Information

Molecular Formula
C5H9N3
SMILES
C1=C(NC=N1)CCN
InChI
InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKey
NTYJJOPFIAHURM-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

53297
References

40533
Patents

111.07965 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 120.9
[M+Na]+ 134.06887 128.7
[M-H]- 110.07237 120.0
[M+NH4]+ 129.11347 141.5
[M+K]+ 150.04281 126.6
[M+H-H2O]+ 94.076910 114.0
[M+HCOO]- 156.07785 143.8
[M+CH3COO]- 170.09350 166.2
[M+Na-2H]- 132.05432 127.7
[M]+ 111.07910 117.4
[M]- 111.08020 117.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.