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]+ 242.186306 160.4
[M+Na]+ 264.168248 166.0
[M-H]- 240.171754 159.1
[M+NH4]+ 259.212853 181.7
[M+K]+ 280.142188 164.3
[M+H-H2O]+ 224.176290 155.4
[M+HCOO]- 286.177231 175.7
[M+CH3COO]- 300.192881 191.2
[M+Na-2H]- 262.153696 163.7
[M]+ 241.17848142 159.3
[M]- 241.17957858 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.