CID 15458487

N(pros)-phospho-l-histidine

Structural Information

Molecular Formula
C6H10N3O5P
SMILES
C1=C(N(C=N1)P(=O)(O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1
InChIKey
VOHVXLVXSYAFOA-YFKPBYRVSA-N
Compound name
(2S)-2-amino-3-(3-phosphonoimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

62
Patents

235.03581 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04309 148.6
[M+Na]+ 258.02503 154.6
[M-H]- 234.02853 144.5
[M+NH4]+ 253.06963 162.8
[M+K]+ 273.99897 153.7
[M+H-H2O]+ 218.03307 139.9
[M+HCOO]- 280.03401 170.8
[M+CH3COO]- 294.04966 183.8
[M+Na-2H]- 256.01048 148.4
[M]+ 235.03526 146.9
[M]- 235.03636 146.9
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