CID 6274

L-histidine

Structural Information

Molecular Formula
C6H9N3O2
SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey
HNDVDQJCIGZPNO-YFKPBYRVSA-N
Compound name
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

33885
References

173796
Patents

155.06947 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 132.1
[M+Na]+ 178.05869 138.5
[M-H]- 154.06219 130.0
[M+NH4]+ 173.10329 149.8
[M+K]+ 194.03263 136.6
[M+H-H2O]+ 138.06673 125.1
[M+HCOO]- 200.06767 151.7
[M+CH3COO]- 214.08332 171.8
[M+Na-2H]- 176.04414 135.3
[M]+ 155.06892 127.9
[M]- 155.07002 127.9
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.