CID 165737188

2803861-66-5

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC2CC1(CO2)C=O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(14)12-5-8-4-11(12,6-13)7-15-8/h6,8H,4-5,7H2,1-3H3
InChIKey
ULSSDHLFUOSAOP-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 151.3
[M+Na]+ 250.104968 158.9
[M-H]- 226.108474 153.5
[M+NH4]+ 245.149573 174.1
[M+K]+ 266.078908 159.5
[M+H-H2O]+ 210.113010 148.1
[M+HCOO]- 272.113951 168.4
[M+CH3COO]- 286.129601 186.4
[M+Na-2H]- 248.090416 156.4
[M]+ 227.11520142 154.8
[M]- 227.11629858 154.8
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.