CID 153512661

2137432-91-6

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1CO[C@H]2[C@@H]1NC(C2)C(=O)O
InChI
InChI=1S/C7H11NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h4-6,8H,1-3H2,(H,9,10)/t4-,5?,6-/m1/s1
InChIKey
MKSLXHNNHFTOEE-SPWIIUKKSA-N
Compound name
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.0739 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.9
[M+Na]+ 180.06312 139.1
[M-H]- 156.06662 133.6
[M+NH4]+ 175.10772 154.0
[M+K]+ 196.03706 138.5
[M+H-H2O]+ 140.07116 128.3
[M+HCOO]- 202.07210 149.6
[M+CH3COO]- 216.08775 169.0
[M+Na-2H]- 178.04857 135.3
[M]+ 157.07335 128.8
[M]- 157.07445 128.8
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