CID 44118857

Tert-butyl 1,9-diazaspiro[5.5]undec-3-ene-9-carboxylate

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC=CCN2
InChI
InChI=1S/C14H24N2O2/c1-13(2,3)18-12(17)16-10-7-14(8-11-16)6-4-5-9-15-14/h4-5,15H,6-11H2,1-3H3
InChIKey
GPGWVGSYQALOCP-UHFFFAOYSA-N
Compound name
tert-butyl 1,9-diazaspiro[5.5]undec-3-ene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 163.5
[M+Na]+ 275.17300 166.7
[M-H]- 251.17650 163.6
[M+NH4]+ 270.21760 179.1
[M+K]+ 291.14694 164.4
[M+H-H2O]+ 235.18104 156.0
[M+HCOO]- 297.18198 174.5
[M+CH3COO]- 311.19763 188.9
[M+Na-2H]- 273.15845 167.4
[M]+ 252.18323 156.5
[M]- 252.18433 156.5
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.