CID 9571351

Nsc647371

Structural Information

Molecular Formula
C11H17NO3
SMILES
COC(=O)C1(CCC/C(=N/O)/C1)CC=C
InChI
InChI=1S/C11H17NO3/c1-3-6-11(10(13)15-2)7-4-5-9(8-11)12-14/h3,14H,1,4-8H2,2H3/b12-9-
InChIKey
YLWNKHDFCZWLNK-XFXZXTDPSA-N
Compound name
methyl (3Z)-3-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 146.9
[M+Na]+ 234.11007 152.0
[M-H]- 210.11357 149.8
[M+NH4]+ 229.15467 167.2
[M+K]+ 250.08401 150.8
[M+H-H2O]+ 194.11811 141.7
[M+HCOO]- 256.11905 167.7
[M+CH3COO]- 270.13470 187.0
[M+Na-2H]- 232.09552 150.8
[M]+ 211.12030 144.6
[M]- 211.12140 144.6
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

No patent data available for this compound.