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
2
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 140.8
[M+Na]+ 205.119898 146.4
[M-H]- 181.123404 143.8
[M+NH4]+ 200.164503 160.9
[M+K]+ 221.093838 145.1
[M+H-H2O]+ 165.127940 135.5
[M+HCOO]- 227.128881 160.2
[M+CH3COO]- 241.144531 183.9
[M+Na-2H]- 203.105346 142.5
[M]+ 182.13013142 138.8
[M]- 182.13122858 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