CID 44147106

93892-04-7

Structural Information

Molecular Formula
C11H18O2
SMILES
C[C@H]1CC[C@@H](C[C@@H]1OC=O)C(=C)C
InChI
InChI=1S/C11H18O2/c1-8(2)10-5-4-9(3)11(6-10)13-7-12/h7,9-11H,1,4-6H2,2-3H3/t9-,10-,11-/m0/s1
InChIKey
ZCRWAIVGYMUKPX-DCAQKATOSA-N
Compound name
[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 142.1
[M+Na]+ 205.11990 152.5
[M+NH4]+ 200.16450 150.1
[M+K]+ 221.09384 146.6
[M-H]- 181.12340 143.3
[M+Na-2H]- 203.10535 145.8
[M]+ 182.13013 143.7
[M]- 182.13123 143.7
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