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

11
Patents

158.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 135.7
[M+Na]+ 181.083518 140.6
[M-H]- 157.087024 137.3
[M+NH4]+ 176.128123 157.2
[M+K]+ 197.057458 140.5
[M+H-H2O]+ 141.091560 130.7
[M+HCOO]- 203.092501 155.7
[M+CH3COO]- 217.108151 173.4
[M+Na-2H]- 179.068966 137.2
[M]+ 158.09375142 133.5
[M]- 158.09484858 133.5
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