CID 5365819

Fema no. 4103

Structural Information

Molecular Formula
C13H22O2
SMILES
CC(/C=C(\C)/CCC=C(C)C)OC(=O)C
InChI
InChI=1S/C13H22O2/c1-10(2)7-6-8-11(3)9-12(4)15-13(5)14/h7,9,12H,6,8H2,1-5H3/b11-9+
InChIKey
AZPPBYINNXLPQZ-PKNBQFBNSA-N
Compound name
[(3E)-4,8-dimethylnona-3,7-dien-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

52
Patents

210.16199 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 153.2
[M+Na]+ 233.151208 157.9
[M-H]- 209.154714 152.9
[M+NH4]+ 228.195813 172.2
[M+K]+ 249.125148 156.9
[M+H-H2O]+ 193.159250 148.2
[M+HCOO]- 255.160191 172.0
[M+CH3COO]- 269.175841 190.9
[M+Na-2H]- 231.136656 151.8
[M]+ 210.16144142 155.2
[M]- 210.16253858 155.2
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