CID 15694667

7'-hydroxyabscisic acid

Structural Information

Molecular Formula
C15H20O5
SMILES
C/C(=C/C(=O)O)/C=C/C1(C(=CC(=O)CC1(C)C)CO)O
InChI
InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-
InChIKey
ZGHRCSAIMSBFLK-IGTFLHFFSA-N
Compound name
(2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7
Patents

280.13107 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 161.2
[M+Na]+ 303.12029 168.0
[M-H]- 279.12379 160.8
[M+NH4]+ 298.16489 179.4
[M+K]+ 319.09423 164.7
[M+H-H2O]+ 263.12833 158.4
[M+HCOO]- 325.12927 176.2
[M+CH3COO]- 339.14492 193.1
[M+Na-2H]- 301.10574 161.8
[M]+ 280.13052 160.1
[M]- 280.13162 160.1
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