CID 50986476

Tert-butyl n-{3-azabicyclo[3.2.0]heptan-6-yl}carbamate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)NC1CC2C1CNC2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-4-7-5-12-6-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKey
ZBCUZTCLSWQWPS-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-azabicyclo[3.2.0]heptan-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.159756 151.9
[M+Na]+ 235.141698 155.2
[M-H]- 211.145204 153.0
[M+NH4]+ 230.186303 164.6
[M+K]+ 251.115638 156.7
[M+H-H2O]+ 195.149740 141.2
[M+HCOO]- 257.150681 167.7
[M+CH3COO]- 271.166331 189.5
[M+Na-2H]- 233.127146 154.4
[M]+ 212.15193142 157.7
[M]- 212.15302858 157.7
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

patents stripe