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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.096816	136.5
[M+Na]+	194.078758	141.6
[M-H]-	170.082264	136.6
[M+NH4]+	189.123363	157.0
[M+K]+	210.052698	140.7
[M+H-H2O]+	154.086800	131.5
[M+HCOO]-	216.087741	150.7
[M+CH3COO]-	230.103391	170.4
[M+Na-2H]-	192.064206	141.7
[M]+	171.08899142	130.5
[M]-	171.09008858	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.