CID 155822496

2503201-78-1

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1C2C(CN1)OC(CO2)C(=O)O
InChI
InChI=1S/C7H11NO4/c9-7(10)6-3-11-4-1-8-2-5(4)12-6/h4-6,8H,1-3H2,(H,9,10)
InChIKey
XFVIXCWAQZEGDC-UHFFFAOYSA-N
Compound name
3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0688 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 134.3
[M+Na]+ 196.05802 139.8
[M-H]- 172.06152 135.2
[M+NH4]+ 191.10262 151.6
[M+K]+ 212.03196 140.3
[M+H-H2O]+ 156.06606 129.1
[M+HCOO]- 218.06700 148.1
[M+CH3COO]- 232.08265 171.5
[M+Na-2H]- 194.04347 139.1
[M]+ 173.06825 130.2
[M]- 173.06935 130.2
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.