CID 111441

5-hydroxy-7,11-dimethyldodec-10-en-3-one

Structural Information

Molecular Formula
C14H26O2
SMILES
CCC(=O)CC(CC(C)CCC=C(C)C)O
InChI
InChI=1S/C14H26O2/c1-5-13(15)10-14(16)9-12(4)8-6-7-11(2)3/h7,12,14,16H,5-6,8-10H2,1-4H3
InChIKey
LZCOUZAIBZKDOG-UHFFFAOYSA-N
Compound name
5-hydroxy-7,11-dimethyldodec-10-en-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

226.19328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 160.4
[M+Na]+ 249.182498 163.8
[M-H]- 225.186004 158.3
[M+NH4]+ 244.227103 177.9
[M+K]+ 265.156438 162.1
[M+H-H2O]+ 209.190540 155.2
[M+HCOO]- 271.191481 177.0
[M+CH3COO]- 285.207131 193.5
[M+Na-2H]- 247.167946 157.7
[M]+ 226.19273142 161.6
[M]- 226.19382858 161.6
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.