CID 47003388

Tert-butyl n-(cyanomethyl)-n-ethylcarbamate

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CCN(CC#N)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H16N2O2/c1-5-11(7-6-10)8(12)13-9(2,3)4/h5,7H2,1-4H3
InChIKey
WDQGZBBATDSQEV-UHFFFAOYSA-N
Compound name
tert-butyl N-(cyanomethyl)-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 143.2
[M+Na]+ 207.110408 150.8
[M-H]- 183.113914 145.2
[M+NH4]+ 202.155013 161.6
[M+K]+ 223.084348 152.2
[M+H-H2O]+ 167.118450 131.5
[M+HCOO]- 229.119391 162.3
[M+CH3COO]- 243.135041 199.6
[M+Na-2H]- 205.095856 147.3
[M]+ 184.12064142 141.4
[M]- 184.12173858 141.4
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