CID 167736446

Tert-butyl (4s)-6-formyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC1(CC2(C1)CCN2C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C13H21NO3/c1-11(2,3)17-10(16)14-6-5-13(14)7-12(4,8-13)9-15/h9H,5-8H2,1-4H3
InChIKey
XGHUJQXQRWLCCQ-UHFFFAOYSA-N
Compound name
tert-butyl 6-formyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 153.7
[M+Na]+ 262.14137 158.1
[M-H]- 238.14487 157.9
[M+NH4]+ 257.18597 161.2
[M+K]+ 278.11531 162.7
[M+H-H2O]+ 222.14941 141.8
[M+HCOO]- 284.15035 168.1
[M+CH3COO]- 298.16600 202.4
[M+Na-2H]- 260.12682 157.9
[M]+ 239.15160 171.5
[M]- 239.15270 171.5
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.