CID 9571567

159016-25-8

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CC(C)(C)OC(=O)N/N=C(/C1=CC=CC=C1)\N
InChI
InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-14-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,13,14)(H,15,16)
InChIKey
UUWHNGLXDSXTLN-UHFFFAOYSA-N
Compound name
tert-butyl N-[(Z)-[amino(phenyl)methylidene]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 154.6
[M+Na]+ 258.12130 159.2
[M-H]- 234.12480 158.9
[M+NH4]+ 253.16590 171.8
[M+K]+ 274.09524 158.4
[M+H-H2O]+ 218.12934 147.5
[M+HCOO]- 280.13028 179.4
[M+CH3COO]- 294.14593 198.9
[M+Na-2H]- 256.10675 159.8
[M]+ 235.13153 153.5
[M]- 235.13263 153.5
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.