CID 73556

Fencholic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)[C@H]1CC[C@@](C1)(C)C(=O)O
InChI
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,6-8)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/t8-,10+/m0/s1
InChIKey
IBDVYGIGYPWWBX-WCBMZHEXSA-N
Compound name
trans-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

190
Patents

170.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.7
[M+Na]+ 193.11990 145.7
[M-H]- 169.12340 141.8
[M+NH4]+ 188.16450 163.2
[M+K]+ 209.09384 144.8
[M+H-H2O]+ 153.12794 136.0
[M+HCOO]- 215.12888 158.8
[M+CH3COO]- 229.14453 178.1
[M+Na-2H]- 191.10535 140.8
[M]+ 170.13013 137.5
[M]- 170.13123 137.5
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

No patent data available for this compound.