CID 12236399

21184-21-4

Structural Information

Molecular Formula
C9H10N2
SMILES
CCN(C#N)C1=CC=CC=C1
InChI
InChI=1S/C9H10N2/c1-2-11(8-10)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChIKey
JOVPBMWDCCBPJH-UHFFFAOYSA-N
Compound name
ethyl(phenyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

146.0844 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 132.3
[M+Na]+ 169.073618 141.1
[M-H]- 145.077124 136.6
[M+NH4]+ 164.118223 151.7
[M+K]+ 185.047558 139.2
[M+H-H2O]+ 129.081660 119.6
[M+HCOO]- 191.082601 154.4
[M+CH3COO]- 205.098251 193.3
[M+Na-2H]- 167.059066 139.3
[M]+ 146.08385142 127.5
[M]- 146.08494858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe