CID 12888605

11-methyl-9z,12-tridecadienyl acetate

Structural Information

Molecular Formula
C16H28O2
SMILES
CC(C=C)/C=C\CCCCCCCCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-18-16(3)17/h4,11,13,15H,1,5-10,12,14H2,2-3H3/b13-11-
InChIKey
ASUUBOCEHJFFRV-QBFSEMIESA-N
Compound name
[(9Z)-11-methyltrideca-9,12-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

252.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 167.2
[M+Na]+ 275.19814 171.0
[M-H]- 251.20164 166.0
[M+NH4]+ 270.24274 184.5
[M+K]+ 291.17208 168.1
[M+H-H2O]+ 235.20618 161.2
[M+HCOO]- 297.20712 186.9
[M+CH3COO]- 311.22277 198.9
[M+Na-2H]- 273.18359 166.6
[M]+ 252.20837 171.7
[M]- 252.20947 171.7
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