CID 61430517

1330179-91-3

Structural Information

Molecular Formula
C8H17N3O2
SMILES
CC(C)(C)OC(=O)N(C)CC(=N)N
InChI
InChI=1S/C8H17N3O2/c1-8(2,3)13-7(12)11(4)5-6(9)10/h5H2,1-4H3,(H3,9,10)
InChIKey
AWOGCTDCOUPHDO-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-2-iminoethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.13208 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.139356 144.0
[M+Na]+ 210.121298 148.7
[M-H]- 186.124804 145.3
[M+NH4]+ 205.165903 163.3
[M+K]+ 226.095238 150.2
[M+H-H2O]+ 170.129340 138.3
[M+HCOO]- 232.130281 167.4
[M+CH3COO]- 246.145931 193.0
[M+Na-2H]- 208.106746 147.0
[M]+ 187.13153142 143.2
[M]- 187.13262858 143.2
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

No patent data available for this compound.