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 183.1
[M+Na]+ 249.15734 183.5
[M-H]- 225.16084 184.9
[M+NH4]+ 244.20194 186.5
[M+K]+ 265.13128 190.0
[M+H-H2O]+ 209.16538 168.2
[M+HCOO]- 271.16632 193.7
[M+CH3COO]- 285.18197 218.9
[M+Na-2H]- 247.14279 186.3
[M]+ 226.16757 206.8
[M]- 226.16867 206.8
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.