CID 100658258

Cxvdztinhsqbkz-vqvtytsysa-n

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+/m1/s1
InChIKey
CXVDZTINHSQBKZ-VQVTYTSYSA-N
Compound name
(1S,3aR,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]+ 173.08084 133.8
[M+Na]+ 195.06278 139.3
[M-H]- 171.06628 137.4
[M+NH4]+ 190.10738 153.2
[M+K]+ 211.03672 140.6
[M+H-H2O]+ 155.07082 129.4
[M+HCOO]- 217.07176 150.1
[M+CH3COO]- 231.08741 174.2
[M+Na-2H]- 193.04823 138.9
[M]+ 172.07301 131.3
[M]- 172.07411 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.