CID 84701380

Tert-butyl 1-formyl-6-azaspiro[2.5]octane-6-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2C=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(13)9-15/h9-10H,4-8H2,1-3H3
InChIKey
AYPWHPMMQKXDAE-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

239.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 161.4
[M+Na]+ 262.14137 169.1
[M-H]- 238.14487 166.1
[M+NH4]+ 257.18597 175.4
[M+K]+ 278.11531 167.4
[M+H-H2O]+ 222.14941 155.7
[M+HCOO]- 284.15035 177.4
[M+CH3COO]- 298.16600 193.1
[M+Na-2H]- 260.12682 165.3
[M]+ 239.15160 163.3
[M]- 239.15270 163.3
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