CID 47003185

(4-methylquinazolin-2-yl)methanamine

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=NC(=NC2=CC=CC=C12)CN
InChI
InChI=1S/C10H11N3/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6,11H2,1H3
InChIKey
MWEAFCVREVZMSO-UHFFFAOYSA-N
Compound name
(4-methylquinazolin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

173.09529 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.102566 136.4
[M+Na]+ 196.084508 146.1
[M-H]- 172.088014 138.3
[M+NH4]+ 191.129113 155.1
[M+K]+ 212.058448 142.3
[M+H-H2O]+ 156.092550 128.9
[M+HCOO]- 218.093491 158.4
[M+CH3COO]- 232.109141 149.6
[M+Na-2H]- 194.069956 145.5
[M]+ 173.09474142 135.6
[M]- 173.09583858 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe