CID 603064

28448-11-5

Structural Information

Molecular Formula
C11H9N3
SMILES
CC1=C(C(=NC2=CC=CC=C12)N)C#N
InChI
InChI=1S/C11H9N3/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3,(H2,13,14)
InChIKey
DXXUIIMDJKUSES-UHFFFAOYSA-N
Compound name
2-amino-4-methylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

183.07965 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08693 141.9
[M+Na]+ 206.06887 153.7
[M-H]- 182.07237 144.3
[M+NH4]+ 201.11347 159.4
[M+K]+ 222.04281 148.3
[M+H-H2O]+ 166.07691 128.8
[M+HCOO]- 228.07785 161.0
[M+CH3COO]- 242.09350 153.7
[M+Na-2H]- 204.05432 148.5
[M]+ 183.07910 136.0
[M]- 183.08020 136.0
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