CID 14135805

Rosafluine

Structural Information

Molecular Formula
C14H20O2
SMILES
C/C(=C\C=C\C=C(\C=C\CO)/C)/C=C/CO
InChI
InChI=1S/C14H20O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-10,15-16H,11-12H2,1-2H3/b4-3+,9-5+,10-6+,13-7+,14-8+
InChIKey
VDPMPASLASNGIB-PSAUJTBTSA-N
Compound name
(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaene-1,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

220.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 156.9
[M+Na]+ 243.13555 161.4
[M-H]- 219.13905 153.4
[M+NH4]+ 238.18015 174.0
[M+K]+ 259.10949 156.1
[M+H-H2O]+ 203.14359 152.0
[M+HCOO]- 265.14453 174.6
[M+CH3COO]- 279.16018 183.9
[M+Na-2H]- 241.12100 156.2
[M]+ 220.14578 155.0
[M]- 220.14688 155.0
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

patents stripe