CID 177786986

Tert-butyl n-({2-azabicyclo[3.1.1]heptan-5-yl}methyl)carbamate hydrochloride

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NCC12CCNC(C1)C2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-12-4-5-13-9(6-12)7-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKey
FNANOMDFNKYFSC-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-azabicyclo[3.1.1]heptan-5-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 169.6
[M+Na]+ 249.15734 171.6
[M-H]- 225.16084 165.1
[M+NH4]+ 244.20194 184.9
[M+K]+ 265.13128 173.1
[M+H-H2O]+ 209.16538 160.2
[M+HCOO]- 271.16632 178.2
[M+CH3COO]- 285.18197 195.4
[M+Na-2H]- 247.14279 178.4
[M]+ 226.16757 179.0
[M]- 226.16867 179.0
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.