CID 12418155

67732-08-5

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)(C)C1(CCCC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-9(2,3)10(8(11)12)6-4-5-7-10/h4-7H2,1-3H3,(H,11,12)
InChIKey
MCNBSOUNKZZLBI-UHFFFAOYSA-N
Compound name
1-tert-butylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

170.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 140.2
[M+Na]+ 193.11990 146.0
[M-H]- 169.12340 142.1
[M+NH4]+ 188.16450 163.6
[M+K]+ 209.09384 145.1
[M+H-H2O]+ 153.12794 136.8
[M+HCOO]- 215.12888 158.8
[M+CH3COO]- 229.14453 175.7
[M+Na-2H]- 191.10535 144.0
[M]+ 170.13013 137.7
[M]- 170.13123 137.7
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.