CID 56936037

Isopropyl 9z-dodecenoate

Structural Information

Molecular Formula

C₁₅H₂₈O₂

SMILES

CC/C=C\CCCCCCCC(=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/h5-6,14H,4,7-13H2,1-3H3/b6-5-

InChIKey

MMOMOOUGAHBPEF-WAYWQWQTSA-N

Compound name

propan-2-yl (Z)-dodec-9-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.20892 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe