CID 155895472

Tert-butyl 8-methyl-2,5,8-triazaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C12H23N3O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CN(CCN2)C
InChI
InChI=1S/C12H23N3O2/c1-11(2,3)17-10(16)15-8-12(9-15)7-14(4)6-5-13-12/h13H,5-9H2,1-4H3
InChIKey
YIGMSOVUDFTQHQ-UHFFFAOYSA-N
Compound name
tert-butyl 8-methyl-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.17903 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.18631 161.7
[M+Na]+ 264.16825 165.6
[M-H]- 240.17175 161.0
[M+NH4]+ 259.21285 170.5
[M+K]+ 280.14219 167.0
[M+H-H2O]+ 224.17629 149.7
[M+HCOO]- 286.17723 171.8
[M+CH3COO]- 300.19288 191.9
[M+Na-2H]- 262.15370 164.7
[M]+ 241.17848 166.0
[M]- 241.17958 166.0
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.