CID 131752585

Pisumic acid

Structural Information

Molecular Formula
C15H22O5
SMILES
CC1=CC(CC(C1(/C=C/C(=C/C(=O)O)/C)O)(C)CO)O
InChI
InChI=1S/C15H22O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,12,16-17,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+
InChIKey
GBHKILLDPRFXNU-UMCKCUICSA-N
Compound name
(2E,4E)-5-[1,4-dihydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

282.14673 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 165.7
[M+Na]+ 305.13595 172.8
[M+NH4]+ 300.18055 172.2
[M+K]+ 321.10989 166.4
[M-H]- 281.13945 162.7
[M+Na-2H]- 303.12140 168.2
[M]+ 282.14618 165.6
[M]- 282.14728 165.6
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.