CID 21118511

[3,3-dimethyl-2-(2-methylidenecyclohexyl)butan-2-yl] acetate

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(=O)OC(C)(C1CCCCC1=C)C(C)(C)C
InChI
InChI=1S/C15H26O2/c1-11-9-7-8-10-13(11)15(6,14(3,4)5)17-12(2)16/h13H,1,7-10H2,2-6H3
InChIKey
JPCFHOIMWPCQHG-UHFFFAOYSA-N
Compound name
[3,3-dimethyl-2-(2-methylidenecyclohexyl)butan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 157.3
[M+Na]+ 261.182498 161.5
[M-H]- 237.186004 160.0
[M+NH4]+ 256.227103 175.4
[M+K]+ 277.156438 160.1
[M+H-H2O]+ 221.190540 152.6
[M+HCOO]- 283.191481 172.4
[M+CH3COO]- 297.207131 194.3
[M+Na-2H]- 259.167946 159.6
[M]+ 238.19273142 155.5
[M]- 238.19382858 155.5
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

No patent data available for this compound.