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 140.8
[M+Na]+ 205.11990 146.4
[M-H]- 181.12340 143.8
[M+NH4]+ 200.16450 160.9
[M+K]+ 221.09384 145.1
[M+H-H2O]+ 165.12794 135.5
[M+HCOO]- 227.12888 160.2
[M+CH3COO]- 241.14453 183.9
[M+Na-2H]- 203.10535 142.5
[M]+ 182.13013 138.8
[M]- 182.13123 138.8
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