CID 135399194

5408-04-8

Structural Information

Molecular Formula
C6H9NO4
SMILES
CCOC(=O)C(=C(C)O)N=O
InChI
InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h8H,3H2,1-2H3
InChIKey
HVTHITHXCDMTDK-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-2-nitrosobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

510
Patents

159.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 131.0
[M+Na]+ 182.04238 137.6
[M-H]- 158.04588 131.6
[M+NH4]+ 177.08698 151.4
[M+K]+ 198.01632 138.9
[M+H-H2O]+ 142.05042 126.0
[M+HCOO]- 204.05136 154.5
[M+CH3COO]- 218.06701 178.5
[M+Na-2H]- 180.02783 134.7
[M]+ 159.05261 133.1
[M]- 159.05371 133.1
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

patents stripe