CID 155819848

2741429-91-2

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 136.5
[M+Na]+ 194.07876 141.6
[M-H]- 170.08226 136.6
[M+NH4]+ 189.12336 157.0
[M+K]+ 210.05270 140.7
[M+H-H2O]+ 154.08680 131.5
[M+HCOO]- 216.08774 150.7
[M+CH3COO]- 230.10339 170.4
[M+Na-2H]- 192.06421 141.7
[M]+ 171.08899 130.5
[M]- 171.09009 130.5
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.