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]+ 174.10257 136.4
[M+Na]+ 196.08451 146.1
[M-H]- 172.08801 138.3
[M+NH4]+ 191.12911 155.1
[M+K]+ 212.05845 142.3
[M+H-H2O]+ 156.09255 128.9
[M+HCOO]- 218.09349 158.4
[M+CH3COO]- 232.10914 149.6
[M+Na-2H]- 194.06996 145.5
[M]+ 173.09474 135.6
[M]- 173.09584 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