CID 45084846

843612-34-0

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)[C@@H]1CCC[C@H]1C(=O)O
InChI
InChI=1S/C9H16O2/c1-6(2)7-4-3-5-8(7)9(10)11/h6-8H,3-5H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKey
QIXQEMOUUOKOLL-JGVFFNPUSA-N
Compound name
trans-(1R,2S)-2-propan-2-ylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

156.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 136.5
[M+Na]+ 179.104258 142.0
[M-H]- 155.107764 138.4
[M+NH4]+ 174.148863 158.5
[M+K]+ 195.078198 141.1
[M+H-H2O]+ 139.112300 131.8
[M+HCOO]- 201.113241 155.9
[M+CH3COO]- 215.128891 175.5
[M+Na-2H]- 177.089706 136.8
[M]+ 156.11449142 133.5
[M]- 156.11558858 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