CID 124510185

En300-1734821

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1CCC(CC1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C11H18O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/t7?,8?,9-,10+/m0/s1
InChIKey
YYGADNYACXEHHB-HORUIINNSA-N
Compound name
(1R,2S)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 139.2
[M+Na]+ 205.11990 146.1
[M-H]- 181.12340 145.0
[M+NH4]+ 200.16450 153.8
[M+K]+ 221.09384 143.4
[M+H-H2O]+ 165.12794 133.3
[M+HCOO]- 227.12888 157.4
[M+CH3COO]- 241.14453 184.0
[M+Na-2H]- 203.10535 141.2
[M]+ 182.13013 137.5
[M]- 182.13123 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.