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]+ 185.12847 143.2
[M+Na]+ 207.11041 150.8
[M-H]- 183.11391 145.2
[M+NH4]+ 202.15501 161.6
[M+K]+ 223.08435 152.2
[M+H-H2O]+ 167.11845 131.5
[M+HCOO]- 229.11939 162.3
[M+CH3COO]- 243.13504 199.6
[M+Na-2H]- 205.09586 147.3
[M]+ 184.12064 141.4
[M]- 184.12174 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