CID 118997548

1638768-06-5

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C2)CN
InChI
InChI=1S/C12H22N2O2/c1-10(2,3)16-9(15)14-8-12-4-11(5-12,6-12)7-13/h4-8,13H2,1-3H3,(H,14,15)
InChIKey
MGMLIKLKQQVZPW-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 175.7
[M+Na]+ 249.15734 170.0
[M+NH4]+ 244.20194 174.0
[M+K]+ 265.13128 167.9
[M-H]- 225.16084 167.9
[M+Na-2H]- 247.14279 169.8
[M]+ 226.16757 169.9
[M]- 226.16867 169.9
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.