CID 109409

Einecs 270-879-5

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(CCC1C(=C)CCCC1(C)C)OC(=O)C
InChI
InChI=1S/C15H26O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h12,14H,1,6-10H2,2-5H3
InChIKey
GGSLLFSSNHTPMO-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
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 157.5
[M+Na]+ 261.182498 162.2
[M-H]- 237.186004 160.2
[M+NH4]+ 256.227103 177.4
[M+K]+ 277.156438 160.7
[M+H-H2O]+ 221.190540 152.7
[M+HCOO]- 283.191481 174.6
[M+CH3COO]- 297.207131 195.8
[M+Na-2H]- 259.167946 157.2
[M]+ 238.19273142 156.5
[M]- 238.19382858 156.5
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

patents stripe