CID 132351172

2137451-00-2

Structural Information

Molecular Formula
C7H11NO3
SMILES
COC(=O)C12CC(CN1)OC2
InChI
InChI=1S/C7H11NO3/c1-10-6(9)7-2-5(3-8-7)11-4-7/h5,8H,2-4H2,1H3
InChIKey
RTMKITWWTCEMNZ-UHFFFAOYSA-N
Compound name
methyl 2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.3
[M+Na]+ 180.063118 139.5
[M-H]- 156.066624 133.0
[M+NH4]+ 175.107723 156.7
[M+K]+ 196.037058 139.7
[M+H-H2O]+ 140.071160 128.3
[M+HCOO]- 202.072101 150.3
[M+CH3COO]- 216.087751 170.5
[M+Na-2H]- 178.048566 138.0
[M]+ 157.07335142 131.8
[M]- 157.07444858 131.8
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.