CID 154814536

Rac-(3ar,6as)-hexahydro-2h-furo[2,3-c]pyrrole-3a-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1CO[C@@H]2[C@]1(CNC2)C(=O)O
InChI
InChI=1S/C7H11NO3/c9-6(10)7-1-2-11-5(7)3-8-4-7/h5,8H,1-4H2,(H,9,10)/t5-,7-/m0/s1
InChIKey
LKIDEIDZBYIDNU-FSPLSTOPSA-N
Compound name
(3aS,6aR)-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.8
[M+Na]+ 180.063118 139.2
[M-H]- 156.066624 133.5
[M+NH4]+ 175.107723 155.7
[M+K]+ 196.037058 138.6
[M+H-H2O]+ 140.071160 128.6
[M+HCOO]- 202.072101 149.5
[M+CH3COO]- 216.087751 167.4
[M+Na-2H]- 178.048566 137.1
[M]+ 157.07335142 128.7
[M]- 157.07444858 128.7
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.