CID 165950786

Tert-butyl n-({5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl}methyl)carbamate

Structural Information

Molecular Formula
C12H23N3O2
SMILES
CC(C)(C)OC(=O)NCC12CC(CN1)N(C2)C
InChI
InChI=1S/C12H23N3O2/c1-11(2,3)17-10(16)13-7-12-5-9(6-14-12)15(4)8-12/h9,14H,5-8H2,1-4H3,(H,13,16)
InChIKey
CXCWSAOCYHTIRS-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.17903 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.18631 160.4
[M+Na]+ 264.16825 166.0
[M-H]- 240.17175 159.1
[M+NH4]+ 259.21285 181.7
[M+K]+ 280.14219 164.3
[M+H-H2O]+ 224.17629 155.4
[M+HCOO]- 286.17723 175.7
[M+CH3COO]- 300.19288 191.2
[M+Na-2H]- 262.15370 163.7
[M]+ 241.17848 159.3
[M]- 241.17958 159.3
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.