CID 6434812

Shell sd-3945

Structural Information

Molecular Formula
C12H21O6P
SMILES
C/C(=C/C(=O)OC1CCCCC1)/OP(=O)(OC)OC
InChI
InChI=1S/C12H21O6P/c1-10(18-19(14,15-2)16-3)9-12(13)17-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3/b10-9-
InChIKey
AVOVWYBKFXGWEQ-KTKRTIGZSA-N
Compound name
cyclohexyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10757 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11485 165.6
[M+Na]+ 315.09679 168.6
[M-H]- 291.10029 166.6
[M+NH4]+ 310.14139 181.0
[M+K]+ 331.07073 169.5
[M+H-H2O]+ 275.10483 157.2
[M+HCOO]- 337.10577 188.4
[M+CH3COO]- 351.12142 198.8
[M+Na-2H]- 313.08224 165.0
[M]+ 292.10702 168.6
[M]- 292.10812 168.6
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.