CID 151928

Menthyl chloroformate

Structural Information

Molecular Formula
C11H19ClO2
SMILES
CC1CCC(C(C1)OC(=O)Cl)C(C)C
InChI
InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3
InChIKey
KIUPCUCGVCGPPA-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

3386
Patents

218.10736 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.114636 148.3
[M+Na]+ 241.096578 154.3
[M-H]- 217.100084 151.3
[M+NH4]+ 236.141183 167.9
[M+K]+ 257.070518 151.9
[M+H-H2O]+ 201.104620 143.9
[M+HCOO]- 263.105561 162.0
[M+CH3COO]- 277.121211 188.8
[M+Na-2H]- 239.082026 148.3
[M]+ 218.10681142 148.3
[M]- 218.10790858 148.3
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