CID 137736

2826-28-0

Structural Information

Molecular Formula
C12H11N3
SMILES
CN(C)C1=CC=C(C=C1)C=C(C#N)C#N
InChI
InChI=1S/C12H11N3/c1-15(2)12-5-3-10(4-6-12)7-11(8-13)9-14/h3-7H,1-2H3
InChIKey
IYNONQVNLZATDK-UHFFFAOYSA-N
Compound name
2-[[4-(dimethylamino)phenyl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

93
Patents

197.09529 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 160.0
[M+Na]+ 220.08451 168.8
[M-H]- 196.08801 164.0
[M+NH4]+ 215.12911 172.7
[M+K]+ 236.05845 165.5
[M+H-H2O]+ 180.09255 144.3
[M+HCOO]- 242.09349 172.9
[M+CH3COO]- 256.10914 220.9
[M+Na-2H]- 218.06996 160.9
[M]+ 197.09474 151.8
[M]- 197.09584 151.8
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