CID 131752905

2,3-dihydroabscisic alcohol

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1=CC(=O)CC(C1(/C=C/C(C)CCO)O)(C)C
InChI
InChI=1S/C15H24O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5,7,9,11,16,18H,6,8,10H2,1-4H3/b7-5+
InChIKey
JIXIFPSGUSMCIL-FNORWQNLSA-N
Compound name
4-hydroxy-4-[(E)-5-hydroxy-3-methylpent-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 157.4
[M+Na]+ 275.16177 164.4
[M-H]- 251.16527 158.3
[M+NH4]+ 270.20637 177.8
[M+K]+ 291.13571 161.3
[M+H-H2O]+ 235.16981 154.2
[M+HCOO]- 297.17075 174.1
[M+CH3COO]- 311.18640 192.4
[M+Na-2H]- 273.14722 159.2
[M]+ 252.17200 157.2
[M]- 252.17310 157.2
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

No patent data available for this compound.