CID 14711761

2-methoxycyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
COC1CCCC1C(=O)O
InChI
InChI=1S/C7H12O3/c1-10-6-4-2-3-5(6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
KHFKWNMKMOBOLL-UHFFFAOYSA-N
Compound name
2-methoxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.8
[M+Na]+ 167.06786 136.3
[M-H]- 143.07136 131.8
[M+NH4]+ 162.11246 152.2
[M+K]+ 183.04180 135.9
[M+H-H2O]+ 127.07590 125.1
[M+HCOO]- 189.07684 151.1
[M+CH3COO]- 203.09249 170.6
[M+Na-2H]- 165.05331 132.4
[M]+ 144.07809 128.2
[M]- 144.07919 128.2
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

patents stripe