CID 105900

4-tert-amylcyclohexyl formate

Structural Information

Molecular Formula
C12H22O2
SMILES
CCC(C)(C)C1CCC(CC1)OC=O
InChI
InChI=1S/C12H22O2/c1-4-12(2,3)10-5-7-11(8-6-10)14-9-13/h9-11H,4-8H2,1-3H3
InChIKey
DYSYPCUGLFVYAR-UHFFFAOYSA-N
Compound name
[4-(2-methylbutan-2-yl)cyclohexyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.16199 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 147.3
[M+Na]+ 221.15121 152.0
[M-H]- 197.15471 149.9
[M+NH4]+ 216.19581 166.7
[M+K]+ 237.12515 150.9
[M+H-H2O]+ 181.15925 142.0
[M+HCOO]- 243.16019 165.6
[M+CH3COO]- 257.17584 186.2
[M+Na-2H]- 219.13666 151.1
[M]+ 198.16144 146.2
[M]- 198.16254 146.2
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