CID 121059

1209-14-9

Structural Information

Molecular Formula
C10H8N4O
SMILES
COC1=CC=C(C=C1)NN=C(C#N)C#N
InChI
InChI=1S/C10H8N4O/c1-15-10-4-2-8(3-5-10)13-14-9(6-11)7-12/h2-5,13H,1H3
InChIKey
QPXWFPKBHJKCTE-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

200.06981 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07709 174.6
[M+Na]+ 223.05903 182.1
[M+NH4]+ 218.10363 174.8
[M+K]+ 239.03297 171.5
[M-H]- 199.06253 165.2
[M+Na-2H]- 221.04448 173.7
[M]+ 200.06926 171.6
[M]- 200.07036 171.6
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