CID 5352674

Methyl myristoleate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCC/C=C\CCCCCCCC(=O)OC
InChI
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-
InChIKey
RWIPSJUSVXDVPB-SREVYHEPSA-N
Compound name
methyl (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

174
Patents

240.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 164.0
[M+Na]+ 263.19814 168.0
[M-H]- 239.20164 162.8
[M+NH4]+ 258.24274 181.9
[M+K]+ 279.17208 165.7
[M+H-H2O]+ 223.20618 158.0
[M+HCOO]- 285.20712 184.8
[M+CH3COO]- 299.22277 196.0
[M+Na-2H]- 261.18359 165.1
[M]+ 240.20837 169.5
[M]- 240.20947 169.5
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

patents stripe