CID 123602080

9-hydroxy-5,9-dimethyl-4-decenal

Structural Information

Molecular Formula
C12H22O2
SMILES
CC(=CCCC=O)CCCC(C)(C)O
InChI
InChI=1S/C12H22O2/c1-11(7-4-5-10-13)8-6-9-12(2,3)14/h7,10,14H,4-6,8-9H2,1-3H3
InChIKey
IVCJGAUQMMORNE-UHFFFAOYSA-N
Compound name
9-hydroxy-5,9-dimethyldec-4-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

345
Patents

198.16199 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 150.0
[M+Na]+ 221.15121 158.4
[M+NH4]+ 216.19581 156.0
[M+K]+ 237.12515 153.2
[M-H]- 197.15471 147.5
[M+Na-2H]- 219.13666 151.4
[M]+ 198.16144 150.2
[M]- 198.16254 150.2
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