CID 18953073

1-ethoxycyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC1(CCCC1)C(=O)O
InChI
InChI=1S/C8H14O3/c1-2-11-8(7(9)10)5-3-4-6-8/h2-6H2,1H3,(H,9,10)
InChIKey
SQLZMYBFTVCTMQ-UHFFFAOYSA-N
Compound name
1-ethoxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.7
[M+Na]+ 181.08352 140.7
[M-H]- 157.08702 136.5
[M+NH4]+ 176.12812 158.3
[M+K]+ 197.05746 140.3
[M+H-H2O]+ 141.09156 130.5
[M+HCOO]- 203.09250 155.6
[M+CH3COO]- 217.10815 172.0
[M+Na-2H]- 179.06897 138.6
[M]+ 158.09375 133.4
[M]- 158.09485 133.4
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