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]+ 281.138346 161.2
[M+Na]+ 303.120288 168.0
[M-H]- 279.123794 160.8
[M+NH4]+ 298.164893 179.4
[M+K]+ 319.094228 164.7
[M+H-H2O]+ 263.128330 158.4
[M+HCOO]- 325.129271 176.2
[M+CH3COO]- 339.144921 193.1
[M+Na-2H]- 301.105736 161.8
[M]+ 280.13052142 160.1
[M]- 280.13161858 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