CID 6434812

64011-80-9

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]+ 293.114846 165.6
[M+Na]+ 315.096788 168.6
[M-H]- 291.100294 166.6
[M+NH4]+ 310.141393 181.0
[M+K]+ 331.070728 169.5
[M+H-H2O]+ 275.104830 157.2
[M+HCOO]- 337.105771 188.4
[M+CH3COO]- 351.121421 198.8
[M+Na-2H]- 313.082236 165.0
[M]+ 292.10702142 168.6
[M]- 292.10811858 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.