CID 141362323

Tert-butyl 1-azaspiro[3.3]heptane-1-carboxylate

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)(C)OC(=O)N1CCC12CCC2
InChI
InChI=1S/C11H19NO2/c1-10(2,3)14-9(13)12-8-7-11(12)5-4-6-11/h4-8H2,1-3H3
InChIKey
GQEFTZJBSRYDLQ-UHFFFAOYSA-N
Compound name
tert-butyl 1-azaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 141.3
[M+Na]+ 220.130808 145.0
[M-H]- 196.134314 145.2
[M+NH4]+ 215.175413 148.5
[M+K]+ 236.104748 150.1
[M+H-H2O]+ 180.138850 128.0
[M+HCOO]- 242.139791 156.1
[M+CH3COO]- 256.155441 195.3
[M+Na-2H]- 218.116256 146.1
[M]+ 197.14104142 157.3
[M]- 197.14213858 157.3
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