CID 132353983

2138076-54-5

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CNC(=O)[C@@]12CCOC[C@@H]1CNC2
InChI
InChI=1S/C9H16N2O2/c1-10-8(12)9-2-3-13-5-7(9)4-11-6-9/h7,11H,2-6H2,1H3,(H,10,12)/t7-,9+/m0/s1
InChIKey
GEWOVSRAONPUNT-IONNQARKSA-N
Compound name
(3aS,7aS)-N-methyl-2,3,3a,4,6,7-hexahydro-1H-pyrano[3,4-c]pyrrole-7a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 140.8
[M+Na]+ 207.11041 145.2
[M-H]- 183.11391 142.1
[M+NH4]+ 202.15501 161.3
[M+K]+ 223.08435 144.4
[M+H-H2O]+ 167.11845 135.1
[M+HCOO]- 229.11939 157.1
[M+CH3COO]- 243.13504 178.1
[M+Na-2H]- 205.09586 146.3
[M]+ 184.12064 134.8
[M]- 184.12174 134.8
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

No patent data available for this compound.