CID 15296367

Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3
InChIKey
YLKHACHFJMCIRE-UHFFFAOYSA-N
Compound name
tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

987
Patents

254.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 165.1
[M+Na]+ 277.18865 167.4
[M-H]- 253.19215 164.8
[M+NH4]+ 272.23325 180.6
[M+K]+ 293.16259 165.3
[M+H-H2O]+ 237.19669 157.7
[M+HCOO]- 299.19763 174.7
[M+CH3COO]- 313.21328 189.3
[M+Na-2H]- 275.17410 168.0
[M]+ 254.19888 156.7
[M]- 254.19998 156.7
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