CID 129950728

1250997-50-2

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC12CCC(C1)CNC2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-12-5-4-9(6-12)7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKey
YSDKOTFTXHZRES-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-azabicyclo[3.2.1]octan-1-yl)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 155.7
[M+Na]+ 249.15734 159.6
[M-H]- 225.16084 154.8
[M+NH4]+ 244.20194 176.8
[M+K]+ 265.13128 157.7
[M+H-H2O]+ 209.16538 150.7
[M+HCOO]- 271.16632 170.1
[M+CH3COO]- 285.18197 187.3
[M+Na-2H]- 247.14279 160.9
[M]+ 226.16757 151.5
[M]- 226.16867 151.5
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.