CID 177742

2-cyclohexyl-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)(C1CCCCC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,11,12)
InChIKey
LQTWWEVXGRFIDW-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

170.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.4
[M+Na]+ 193.11990 143.3
[M-H]- 169.12340 140.7
[M+NH4]+ 188.16450 158.8
[M+K]+ 209.09384 142.3
[M+H-H2O]+ 153.12794 134.6
[M+HCOO]- 215.12888 155.9
[M+CH3COO]- 229.14453 177.1
[M+Na-2H]- 191.10535 143.1
[M]+ 170.13013 134.6
[M]- 170.13123 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe