CID 100658273

2138410-19-0

Structural Information

Molecular Formula
C8H12O4
SMILES
C1COC[C@@H]2[C@H]1[C@@H](OC2)C(=O)O
InChI
InChI=1S/C8H12O4/c9-8(10)7-6-1-2-11-3-5(6)4-12-7/h5-7H,1-4H2,(H,9,10)/t5-,6-,7+/m0/s1
InChIKey
CXVDZTINHSQBKZ-LYFYHCNISA-N
Compound name
(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 133.8
[M+Na]+ 195.062778 139.3
[M-H]- 171.066284 137.4
[M+NH4]+ 190.107383 153.2
[M+K]+ 211.036718 140.6
[M+H-H2O]+ 155.070820 129.4
[M+HCOO]- 217.071761 150.1
[M+CH3COO]- 231.087411 174.2
[M+Na-2H]- 193.048226 138.9
[M]+ 172.07301142 131.3
[M]- 172.07410858 131.3
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.