CID 19380989

2-cyclopentyl-2-methoxyacetic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
COC(C1CCCC1)C(=O)O
InChI
InChI=1S/C8H14O3/c1-11-7(8(9)10)6-4-2-3-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
QBQKPIZWLMCGBU-UHFFFAOYSA-N
Compound name
2-cyclopentyl-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

158.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 135.3
[M+Na]+ 181.08352 142.9
[M+NH4]+ 176.12812 142.6
[M+K]+ 197.05746 141.1
[M-H]- 157.08702 134.6
[M+Na-2H]- 179.06897 137.6
[M]+ 158.09375 135.7
[M]- 158.09485 135.7
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