CID 102772

Menthyl formate

Structural Information

Molecular Formula
C11H20O2
SMILES
CC1CCC(C(C1)OC=O)C(C)C
InChI
InChI=1S/C11H20O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7-11H,4-6H2,1-3H3
InChIKey
XEYZAKCJAFSLGZ-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl) formate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

1869
Patents

184.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 142.4
[M+Na]+ 207.135548 147.8
[M-H]- 183.139054 145.4
[M+NH4]+ 202.180153 162.6
[M+K]+ 223.109488 147.0
[M+H-H2O]+ 167.143590 137.0
[M+HCOO]- 229.144531 161.6
[M+CH3COO]- 243.160181 184.8
[M+Na-2H]- 205.120996 144.1
[M]+ 184.14578142 141.1
[M]- 184.14687858 141.1
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