CID 57517432

955370-01-1

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CCN(C(=O)OC(C)(C)C)N
InChI
InChI=1S/C7H16N2O2/c1-5-9(8)6(10)11-7(2,3)4/h5,8H2,1-4H3
InChIKey
VVAWWZVWLRCTOT-UHFFFAOYSA-N
Compound name
tert-butyl N-amino-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

160.12119 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 136.8
[M+Na]+ 183.11041 142.8
[M-H]- 159.11391 138.2
[M+NH4]+ 178.15501 157.8
[M+K]+ 199.08435 144.5
[M+H-H2O]+ 143.11845 131.7
[M+HCOO]- 205.11939 160.4
[M+CH3COO]- 219.13504 184.9
[M+Na-2H]- 181.09586 141.3
[M]+ 160.12064 137.8
[M]- 160.12174 137.8
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