CID 165607296

Tert-butyl n-(2-{2-azabicyclo[3.1.1]heptan-1-yl}ethyl)-n-methylcarbamate

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N(C)CCC12CC(C1)CCN2
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16(4)8-6-14-9-11(10-14)5-7-15-14/h11,15H,5-10H2,1-4H3
InChIKey
PFDBRVWCPSGBQP-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-azabicyclo[3.1.1]heptan-1-yl)ethyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 163.6
[M+Na]+ 277.18865 165.6
[M+NH4]+ 272.23325 168.9
[M+K]+ 293.16259 161.0
[M-H]- 253.19215 157.5
[M+Na-2H]- 275.17410 159.3
[M]+ 254.19888 160.8
[M]- 254.19998 160.8
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.