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]+ 242.186306 161.7
[M+Na]+ 264.168248 165.6
[M-H]- 240.171754 161.0
[M+NH4]+ 259.212853 170.5
[M+K]+ 280.142188 167.0
[M+H-H2O]+ 224.176290 149.7
[M+HCOO]- 286.177231 171.8
[M+CH3COO]- 300.192881 191.9
[M+Na-2H]- 262.153696 164.7
[M]+ 241.17848142 166.0
[M]- 241.17957858 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.