CID 9589067

Brn 4261355

Structural Information

Molecular Formula
C12H14ClN3O3
SMILES
C/C(=N\NC(=O)C(C)(C)[N+](=O)[O-])/C1=CC=CC=C1Cl
InChI
InChI=1S/C12H14ClN3O3/c1-8(9-6-4-5-7-10(9)13)14-15-11(17)12(2,3)16(18)19/h4-7H,1-3H3,(H,15,17)/b14-8+
InChIKey
CBFSHOUFXUISSA-RIYZIHGNSA-N
Compound name
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-methyl-2-nitropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07236 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07964 162.0
[M+Na]+ 306.06158 167.4
[M-H]- 282.06508 166.7
[M+NH4]+ 301.10618 177.8
[M+K]+ 322.03552 160.9
[M+H-H2O]+ 266.06962 161.0
[M+HCOO]- 328.07056 182.8
[M+CH3COO]- 342.08621 199.2
[M+Na-2H]- 304.04703 168.2
[M]+ 283.07181 162.8
[M]- 283.07291 162.8
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.