CID 176472515

Tp1/6-ethylideneoctahydro-2h-5,8-methanochromen-2-one

Structural Information

Molecular Formula
C10H14O5
SMILES
CC=C1CC(CC1C(C(=O)O)O)C(=O)O
InChI
InChI=1S/C10H14O5/c1-2-5-3-6(9(12)13)4-7(5)8(11)10(14)15/h2,6-8,11H,3-4H2,1H3,(H,12,13)(H,14,15)
InChIKey
IFFVNHSKQXZSOE-UHFFFAOYSA-N
Compound name
3-[carboxy(hydroxy)methyl]-4-ethylidenecyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.091396 147.1
[M+Na]+ 237.073338 152.3
[M-H]- 213.076844 146.4
[M+NH4]+ 232.117943 165.1
[M+K]+ 253.047278 150.4
[M+H-H2O]+ 197.081380 142.7
[M+HCOO]- 259.082321 163.1
[M+CH3COO]- 273.097971 179.8
[M+Na-2H]- 235.058786 144.3
[M]+ 214.08357142 143.4
[M]- 214.08466858 143.4
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

No patent data available for this compound.