CID 135459376

29917-12-2

Structural Information

Molecular Formula
C5H7NO3
SMILES
C/C(=C(/C(=O)C)\N=O)/O
InChI
InChI=1S/C5H7NO3/c1-3(7)5(6-9)4(2)8/h7H,1-2H3/b5-3+
InChIKey
BMFNDMNRYPFUPF-HWKANZROSA-N
Compound name
(E)-4-hydroxy-3-nitrosopent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

129.04259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 123.6
[M+Na]+ 152.03181 130.6
[M-H]- 128.03531 124.3
[M+NH4]+ 147.07641 145.1
[M+K]+ 168.00575 131.5
[M+H-H2O]+ 112.03985 118.9
[M+HCOO]- 174.04079 147.1
[M+CH3COO]- 188.05644 174.1
[M+Na-2H]- 150.01726 127.7
[M]+ 129.04204 123.9
[M]- 129.04314 123.9
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