CID 84689911

1780561-46-7

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC2C=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-5-4-12(8-13)6-9(12)7-14/h7,9H,4-6,8H2,1-3H3
InChIKey
ZLATZYJENAGYJD-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-5-azaspiro[2.4]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 156.0
[M+Na]+ 248.12571 165.8
[M+NH4]+ 243.17031 164.5
[M+K]+ 264.09965 163.0
[M-H]- 224.12921 162.4
[M+Na-2H]- 246.11116 162.2
[M]+ 225.13594 160.2
[M]- 225.13704 160.2
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.