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]+ 171.10158 136.6
[M+Na]+ 193.08352 142.4
[M-H]- 169.08702 138.5
[M+NH4]+ 188.12812 158.0
[M+K]+ 209.05746 141.7
[M+H-H2O]+ 153.09156 131.9
[M+HCOO]- 215.09250 156.7
[M+CH3COO]- 229.10815 175.0
[M+Na-2H]- 191.06897 142.3
[M]+ 170.09375 135.1
[M]- 170.09485 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.