CID 56936035

Isopropyl 5z-tetradecenoate

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCCCCCC/C=C\CCCC(=O)OC(C)C
InChI
InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h11-12,16H,4-10,13-15H2,1-3H3/b12-11-
InChIKey
NPTCEHOFMYJTMW-QXMHVHEDSA-N
Compound name
propan-2-yl (Z)-tetradec-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.24023 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 173.7
[M+Na]+ 291.22945 176.7
[M-H]- 267.23295 172.2
[M+NH4]+ 286.27405 190.4
[M+K]+ 307.20339 174.2
[M+H-H2O]+ 251.23749 167.4
[M+HCOO]- 313.23843 192.8
[M+CH3COO]- 327.25408 202.8
[M+Na-2H]- 289.21490 172.4
[M]+ 268.23968 179.2
[M]- 268.24078 179.2
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

No patent data available for this compound.