CID 5282314

2-methoxy-6z-hexadecenoic acid

Structural Information

Molecular Formula
C17H32O3
SMILES
CCCCCCCCC/C=C\CCCC(C(=O)O)OC
InChI
InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h11-12,16H,3-10,13-15H2,1-2H3,(H,18,19)/b12-11-
InChIKey
KGJRSNOTKLROQM-QXMHVHEDSA-N
Compound name
(Z)-2-methoxyhexadec-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

284.23514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.24242 176.9
[M+Na]+ 307.22436 179.3
[M-H]- 283.22786 173.9
[M+NH4]+ 302.26896 192.0
[M+K]+ 323.19830 176.4
[M+H-H2O]+ 267.23240 170.5
[M+HCOO]- 329.23334 194.7
[M+CH3COO]- 343.24899 202.7
[M+Na-2H]- 305.20981 175.1
[M]+ 284.23459 182.0
[M]- 284.23569 182.0
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