CID 20836252

Schembl14345886

Structural Information

Molecular Formula
C5H5NO3
SMILES
COC(=O)/C(=C\O)/C#N
InChI
InChI=1S/C5H5NO3/c1-9-5(8)4(2-6)3-7/h3,7H,1H3/b4-3-
InChIKey
ZENGSDRPRGWNLF-ARJAWSKDSA-N
Compound name
methyl (Z)-2-cyano-3-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

127.02694 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.034216 124.2
[M+Na]+ 150.016158 133.3
[M-H]- 126.019664 124.1
[M+NH4]+ 145.060763 143.5
[M+K]+ 165.990098 133.3
[M+H-H2O]+ 110.024200 113.4
[M+HCOO]- 172.025141 142.7
[M+CH3COO]- 186.040791 180.9
[M+Na-2H]- 148.001606 128.7
[M]+ 127.02639142 119.7
[M]- 127.02748858 119.7
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