CID 164574325

2734878-31-8

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)C=O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-7-12(8-13)4-9(5-14)6-16-12/h5,9H,4,6-8H2,1-3H3
InChIKey
JHPXUWMTHVNDQI-UHFFFAOYSA-N
Compound name
tert-butyl 7-formyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

241.13141 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 150.2
[M+Na]+ 264.120628 155.2
[M-H]- 240.124134 155.0
[M+NH4]+ 259.165233 162.9
[M+K]+ 280.094568 158.8
[M+H-H2O]+ 224.128670 141.1
[M+HCOO]- 286.129611 166.4
[M+CH3COO]- 300.145261 191.8
[M+Na-2H]- 262.106076 154.4
[M]+ 241.13086142 160.3
[M]- 241.13195858 160.3
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

patents stripe