CID 68158009

Tert-butyl n-(3-cyanocyclobutyl)carbamate

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)(C)OC(=O)NC1CC(C1)C#N
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-8-4-7(5-8)6-11/h7-8H,4-5H2,1-3H3,(H,12,13)
InChIKey
QCUKEYZJVYABFL-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-cyanocyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

196.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 144.5
[M+Na]+ 219.110408 150.1
[M-H]- 195.113914 147.8
[M+NH4]+ 214.155013 156.0
[M+K]+ 235.084348 154.1
[M+H-H2O]+ 179.118450 128.0
[M+HCOO]- 241.119391 161.1
[M+CH3COO]- 255.135041 201.1
[M+Na-2H]- 217.095856 147.8
[M]+ 196.12064142 147.3
[M]- 196.12173858 147.3
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