CID 549821

11,13-dimethyl-12-tetradecen-1-yl acetate

Structural Information

Molecular Formula
C18H34O2
SMILES
CC(CCCCCCCCCCOC(=O)C)C=C(C)C
InChI
InChI=1S/C18H34O2/c1-16(2)15-17(3)13-11-9-7-5-6-8-10-12-14-20-18(4)19/h15,17H,5-14H2,1-4H3
InChIKey
MNUWBCKALSZWEW-UHFFFAOYSA-N
Compound name
11,13-dimethyltetradec-12-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2559 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.263176 178.5
[M+Na]+ 305.245118 180.9
[M-H]- 281.248624 177.0
[M+NH4]+ 300.289723 194.6
[M+K]+ 321.219058 178.6
[M+H-H2O]+ 265.253160 172.2
[M+HCOO]- 327.254101 196.3
[M+CH3COO]- 341.269751 206.6
[M+Na-2H]- 303.230566 175.4
[M]+ 282.25535142 183.8
[M]- 282.25644858 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.