CID 164655145

4-chloro-6-methyl-n-(prop-2-yn-1-yl)-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C7H7ClN4
SMILES
CC1=NC(=NC(=N1)Cl)NCC#C
InChI
InChI=1S/C7H7ClN4/c1-3-4-9-7-11-5(2)10-6(8)12-7/h1H,4H2,2H3,(H,9,10,11,12)
InChIKey
PEUJSZJGXZDLOU-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-N-prop-2-ynyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.03592 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.043196 132.6
[M+Na]+ 205.025138 143.8
[M-H]- 181.028644 130.3
[M+NH4]+ 200.069743 147.0
[M+K]+ 220.999078 139.5
[M+H-H2O]+ 165.033180 118.8
[M+HCOO]- 227.034121 144.5
[M+CH3COO]- 241.049771 190.7
[M+Na-2H]- 203.010586 139.1
[M]+ 182.03537142 128.3
[M]- 182.03646858 128.3
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

No patent data available for this compound.