CID 3040252

7-(2-hydroxycyclopentyl)heptanoic acid

Structural Information

Molecular Formula
C12H22O3
SMILES
C1CC(C(C1)O)CCCCCCC(=O)O
InChI
InChI=1S/C12H22O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h10-11,13H,1-9H2,(H,14,15)
InChIKey
KYKNKXAQJTWHMC-UHFFFAOYSA-N
Compound name
7-(2-hydroxycyclopentyl)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.15689 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 153.6
[M+Na]+ 237.14611 157.4
[M-H]- 213.14961 153.2
[M+NH4]+ 232.19071 172.4
[M+K]+ 253.12005 154.9
[M+H-H2O]+ 197.15415 148.1
[M+HCOO]- 259.15509 171.6
[M+CH3COO]- 273.17074 183.1
[M+Na-2H]- 235.13156 153.0
[M]+ 214.15634 151.9
[M]- 214.15744 151.9
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