CID 56936038

Isopropyl 9z-tetradecenoate

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCC/C=C\CCCCCCCC(=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/h7-8,16H,4-6,9-15H2,1-3H3/b8-7-
InChIKey
HBDHXDBPCVDGQN-FPLPWBNLSA-N
Compound name
propan-2-yl (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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

literature stripe

Patent stripe

patents stripe