CID 139022438

2741682-38-0

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1COC(=O)[C@@H]2[C@H]1CNC2
InChI
InChI=1S/C7H11NO2/c9-7-6-4-8-3-5(6)1-2-10-7/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKey
ATJYIRBDNFPWBS-RITPCOANSA-N
Compound name
(3aR,7aS)-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 127.6
[M+Na]+ 164.06820 133.9
[M-H]- 140.07170 129.3
[M+NH4]+ 159.11280 148.5
[M+K]+ 180.04214 133.1
[M+H-H2O]+ 124.07624 122.2
[M+HCOO]- 186.07718 144.6
[M+CH3COO]- 200.09283 168.4
[M+Na-2H]- 162.05365 133.2
[M]+ 141.07843 122.4
[M]- 141.07953 122.4
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.