CID 156068799

1654009-11-6

Structural Information

Molecular Formula
C8H11NO5
SMILES
CC1(O[C@@H]2[C@H](O1)C(=O)N[C@@H]2C(=O)O)C
InChI
InChI=1S/C8H11NO5/c1-8(2)13-4-3(7(11)12)9-6(10)5(4)14-8/h3-5H,1-2H3,(H,9,10)(H,11,12)/t3-,4-,5-/m0/s1
InChIKey
JZQZWXLQPSBFCO-YUPRTTJUSA-N
Compound name
(3aS,6S,6aS)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

201.06372 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07100 139.1
[M+Na]+ 224.05294 147.8
[M-H]- 200.05644 141.3
[M+NH4]+ 219.09754 159.5
[M+K]+ 240.02688 148.2
[M+H-H2O]+ 184.06098 136.3
[M+HCOO]- 246.06192 155.0
[M+CH3COO]- 260.07757 178.1
[M+Na-2H]- 222.03839 142.4
[M]+ 201.06317 139.4
[M]- 201.06427 139.4
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

patents stripe