CID 12717

Hadacidin

Structural Information

Molecular Formula
C3H5NO4
SMILES
C(C(=O)O)N(C=O)O
InChI
InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
InChIKey
URJHVPKUWOUENU-UHFFFAOYSA-N
Compound name
2-[formyl(hydroxy)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

63
References

255
Patents

119.02186 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02914 118.8
[M+Na]+ 142.01108 125.9
[M-H]- 118.01458 118.2
[M+NH4]+ 137.05568 139.9
[M+K]+ 157.98502 127.1
[M+H-H2O]+ 102.01912 114.2
[M+HCOO]- 164.02006 142.4
[M+CH3COO]- 178.03571 168.2
[M+Na-2H]- 139.99653 124.6
[M]+ 119.02131 119.2
[M]- 119.02241 119.2
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