CID 95173

4-t-butylcyclohexyl formate

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)C1CCC(CC1)OC=O
InChI
InChI=1S/C11H20O2/c1-11(2,3)9-4-6-10(7-5-9)13-8-12/h8-10H,4-7H2,1-3H3
InChIKey
ZIIKTNCFALFPNK-UHFFFAOYSA-N
Compound name
(4-tert-butylcyclohexyl) formate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

194
Patents

184.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 142.8
[M+Na]+ 207.135548 148.1
[M-H]- 183.139054 145.7
[M+NH4]+ 202.180153 163.0
[M+K]+ 223.109488 147.3
[M+H-H2O]+ 167.143590 137.8
[M+HCOO]- 229.144531 161.5
[M+CH3COO]- 243.160181 182.5
[M+Na-2H]- 205.120996 147.2
[M]+ 184.14578142 141.3
[M]- 184.14687858 141.3
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