CID 21119745

Ns00059739

Structural Information

Molecular Formula
C19H34O2
SMILES
CC(C(C1(CCCCC1)C)OC(=O)C)C2(CCCCC2)C
InChI
InChI=1S/C19H34O2/c1-15(18(3)11-7-5-8-12-18)17(21-16(2)20)19(4)13-9-6-10-14-19/h15,17H,5-14H2,1-4H3
InChIKey
ZVLCGJBQYWAOAH-UHFFFAOYSA-N
Compound name
1,2-bis(1-methylcyclohexyl)propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2559 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.263176 177.5
[M+Na]+ 317.245118 177.2
[M-H]- 293.248624 181.5
[M+NH4]+ 312.289723 195.7
[M+K]+ 333.219058 176.1
[M+H-H2O]+ 277.253160 171.1
[M+HCOO]- 339.254101 189.0
[M+CH3COO]- 353.269751 203.6
[M+Na-2H]- 315.230566 175.3
[M]+ 294.25535142 170.6
[M]- 294.25644858 170.6
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.