CID 177799626

Tert-butyl 2,7-diazadispiro[3.1.5^{6}.1^{4}]dodecane-2-carboxylate

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC3(C2)CCCCN3
InChI
InChI=1S/C15H26N2O2/c1-13(2,3)19-12(18)17-10-14(11-17)8-15(9-14)6-4-5-7-16-15/h16H,4-11H2,1-3H3
InChIKey
DLCOFZYEVWBYMC-UHFFFAOYSA-N
Compound name
tert-butyl 2,7-diazadispiro[3.1.56.14]dodecane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.206706 162.9
[M+Na]+ 289.188648 164.7
[M-H]- 265.192154 165.2
[M+NH4]+ 284.233253 167.4
[M+K]+ 305.162588 168.0
[M+H-H2O]+ 249.196690 148.5
[M+HCOO]- 311.197631 171.4
[M+CH3COO]- 325.213281 203.2
[M+Na-2H]- 287.174096 166.0
[M]+ 266.19888142 173.8
[M]- 266.19997858 173.8
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.