CID 155858833

Rac-(2r,4ar,7as)-octahydropyrano[2,3-c]pyrrole-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1C[C@H](O[C@@H]2[C@@H]1CNC2)C(=O)O
InChI
InChI=1S/C8H13NO3/c10-8(11)6-2-1-5-3-9-4-7(5)12-6/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1
InChIKey
MDNJENIOKCYEPG-ACZMJKKPSA-N
Compound name
(2S,4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.1
[M+Na]+ 194.07876 141.2
[M-H]- 170.08226 136.3
[M+NH4]+ 189.12336 154.9
[M+K]+ 210.05270 140.1
[M+H-H2O]+ 154.08680 130.7
[M+HCOO]- 216.08774 150.4
[M+CH3COO]- 230.10339 172.0
[M+Na-2H]- 192.06421 139.5
[M]+ 171.08899 130.2
[M]- 171.09009 130.2
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.