CID 56936036

Isopropyl 7z-dodecenoate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCC/C=C\CCCCCC(=O)OC(C)C
InChI
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7-
InChIKey
DHSDZBXXAPKULP-FPLPWBNLSA-N
Compound name
propan-2-yl (Z)-dodec-7-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 164.5
[M+Na]+ 263.198138 168.3
[M-H]- 239.201644 163.4
[M+NH4]+ 258.242743 182.3
[M+K]+ 279.172078 166.4
[M+H-H2O]+ 223.206180 158.6
[M+HCOO]- 285.207121 184.3
[M+CH3COO]- 299.222771 196.8
[M+Na-2H]- 261.183586 164.3
[M]+ 240.20837142 169.3
[M]- 240.20946858 169.3
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.