CID 2827373

3-[nitroso(phenyl)amino]propanenitrile

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC=C(C=C1)N(CCC#N)N=O
InChI
InChI=1S/C9H9N3O/c10-7-4-8-12(11-13)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKey
GZTWRJZZYULARU-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 137.9
[M+Na]+ 198.063768 146.3
[M-H]- 174.067274 143.1
[M+NH4]+ 193.108373 156.2
[M+K]+ 214.037708 145.3
[M+H-H2O]+ 158.071810 124.2
[M+HCOO]- 220.072751 162.5
[M+CH3COO]- 234.088401 201.0
[M+Na-2H]- 196.049216 145.4
[M]+ 175.07400142 134.7
[M]- 175.07509858 134.7
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.