CID 9571565

159016-21-4

Structural Information

Molecular Formula
C8H17N3O2
SMILES
CC/C(=N/NC(=O)OC(C)(C)C)/N
InChI
InChI=1S/C8H17N3O2/c1-5-6(9)10-11-7(12)13-8(2,3)4/h5H2,1-4H3,(H2,9,10)(H,11,12)
InChIKey
DHIIGGBUSJELIL-UHFFFAOYSA-N
Compound name
tert-butyl N-[(Z)-1-aminopropylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.139356 144.0
[M+Na]+ 210.121298 149.0
[M-H]- 186.124804 145.3
[M+NH4]+ 205.165903 163.5
[M+K]+ 226.095238 149.9
[M+H-H2O]+ 170.129340 138.2
[M+HCOO]- 232.130281 168.5
[M+CH3COO]- 246.145931 191.4
[M+Na-2H]- 208.106746 148.3
[M]+ 187.13153142 143.8
[M]- 187.13262858 143.8
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

No patent data available for this compound.