CID 15220544

6-methylquinazoline

Structural Information

Molecular Formula
C9H8N2
SMILES
CC1=CC2=CN=CN=C2C=C1
InChI
InChI=1S/C9H8N2/c1-7-2-3-9-8(4-7)5-10-6-11-9/h2-6H,1H3
InChIKey
LYMQTLGEUGQDKU-UHFFFAOYSA-N
Compound name
6-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

451
Patents

144.06874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07602 127.4
[M+Na]+ 167.05796 143.4
[M+NH4]+ 162.10256 137.4
[M+K]+ 183.03190 135.4
[M-H]- 143.06146 130.4
[M+Na-2H]- 165.04341 136.8
[M]+ 144.06819 130.7
[M]- 144.06929 130.7
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