CID 130624072

1-(methoxymethyl)cyclohex-3-ene-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
COCC1(CCC=CC1)C(=O)O
InChI
InChI=1S/C9H14O3/c1-12-7-9(8(10)11)5-3-2-4-6-9/h2-3H,4-7H2,1H3,(H,10,11)
InChIKey
PSOANQZOUIMUAK-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 136.6
[M+Na]+ 193.083518 142.4
[M-H]- 169.087024 138.5
[M+NH4]+ 188.128123 158.0
[M+K]+ 209.057458 141.7
[M+H-H2O]+ 153.091560 131.9
[M+HCOO]- 215.092501 156.7
[M+CH3COO]- 229.108151 175.0
[M+Na-2H]- 191.068966 142.3
[M]+ 170.09375142 135.1
[M]- 170.09484858 135.1
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

No patent data available for this compound.