CID 82379324

Tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC12CCNCC2)C
InChI
InChI=1S/C14H27N3O2/c1-13(2,3)19-12(18)17-10-9-16(4)11-14(17)5-7-15-8-6-14/h15H,5-11H2,1-4H3
InChIKey
WKNCBMRSJIEXIG-UHFFFAOYSA-N
Compound name
tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21033 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.217606 169.7
[M+Na]+ 292.199548 172.9
[M-H]- 268.203054 168.3
[M+NH4]+ 287.244153 183.5
[M+K]+ 308.173488 170.7
[M+H-H2O]+ 252.207590 161.6
[M+HCOO]- 314.208531 177.9
[M+CH3COO]- 328.224181 193.4
[M+Na-2H]- 290.184996 171.9
[M]+ 269.20978142 162.2
[M]- 269.21087858 162.2
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.