CID 10329712

3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(C)(C)C12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C10H16O2/c1-8(2,3)10-4-9(5-10,6-10)7(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKey
UUWIRUOYXBPCQC-UHFFFAOYSA-N
Compound name
3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

168.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 162.3
[M+Na]+ 191.10426 165.7
[M-H]- 167.10776 164.6
[M+NH4]+ 186.14886 168.3
[M+K]+ 207.07820 171.1
[M+H-H2O]+ 151.11230 150.6
[M+HCOO]- 213.11324 172.3
[M+CH3COO]- 227.12889 206.9
[M+Na-2H]- 189.08971 167.6
[M]+ 168.11449 186.7
[M]- 168.11559 186.7
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

patents stripe