CID 6437622

6379-55-1

Structural Information

Molecular Formula
C16H28O2
SMILES
CCC(C)(C(/C=C/C=C(\C)/CCC=C(C)C)O)O
InChI
InChI=1S/C16H28O2/c1-6-16(5,18)15(17)12-8-11-14(4)10-7-9-13(2)3/h8-9,11-12,15,17-18H,6-7,10H2,1-5H3/b12-8+,14-11+
InChIKey
LYXITZQJPFABBF-ZZAMHKPASA-N
Compound name
(5E,7E)-3,8,12-trimethyltrideca-5,7,11-triene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

50
Patents

252.20892 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 167.4
[M+Na]+ 275.19814 173.7
[M+NH4]+ 270.24274 171.9
[M+K]+ 291.17208 169.5
[M-H]- 251.20164 163.5
[M+Na-2H]- 273.18359 166.2
[M]+ 252.20837 166.7
[M]- 252.20947 166.7
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