CID 155819848

2470279-43-5

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1C[C@@H]2CNC[C@@]2(OC1)C(=O)O
InChI
InChI=1S/C8H13NO3/c10-7(11)8-5-9-4-6(8)2-1-3-12-8/h6,9H,1-5H2,(H,10,11)/t6-,8+/m1/s1
InChIKey
ZKVFSZGQZVFLOC-SVRRBLITSA-N
Compound name
(4aR,7aR)-3,4,4a,5,6,7-hexahydro-2H-pyrano[2,3-c]pyrrole-7a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.5
[M+Na]+ 194.07876 145.3
[M+NH4]+ 189.12336 146.3
[M+K]+ 210.05270 141.7
[M-H]- 170.08226 137.7
[M+Na-2H]- 192.06421 139.9
[M]+ 171.08899 138.3
[M]- 171.09009 138.3
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.