CID 177799653

Tert-butyl n-({6-oxa-3-azabicyclo[3.2.1]octan-1-yl}methyl)carbamate hydrochloride

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)NCC12CC(CNC1)OC2
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-7-12-4-9(16-8-12)5-13-6-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKey
QYFYYGWUYOWESP-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-oxa-3-azabicyclo[3.2.1]octan-1-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 157.6
[M+Na]+ 265.152258 161.5
[M-H]- 241.155764 157.3
[M+NH4]+ 260.196863 176.7
[M+K]+ 281.126198 161.1
[M+H-H2O]+ 225.160300 152.7
[M+HCOO]- 287.161241 171.3
[M+CH3COO]- 301.176891 189.5
[M+Na-2H]- 263.137706 163.9
[M]+ 242.16249142 155.5
[M]- 242.16358858 155.5
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.