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]+ 183.04320 136.2
[M+Na]+ 205.02514 149.7
[M+NH4]+ 200.06974 140.3
[M+K]+ 220.99908 140.2
[M-H]- 181.02864 129.4
[M+Na-2H]- 203.01059 140.3
[M]+ 182.03537 135.6
[M]- 182.03647 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

No patent data available for this compound.