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]+ 228.12303 151.3
[M+Na]+ 250.10497 158.9
[M-H]- 226.10847 153.5
[M+NH4]+ 245.14957 174.1
[M+K]+ 266.07891 159.5
[M+H-H2O]+ 210.11301 148.1
[M+HCOO]- 272.11395 168.4
[M+CH3COO]- 286.12960 186.4
[M+Na-2H]- 248.09042 156.4
[M]+ 227.11520 154.8
[M]- 227.11630 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.