CID 30591

4-chloro-6-methyl-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C4H5ClN4
SMILES
CC1=NC(=NC(=N1)Cl)N
InChI
InChI=1S/C4H5ClN4/c1-2-7-3(5)9-4(6)8-2/h1H3,(H2,6,7,8,9)
InChIKey
BTBXQZKDOSYRDX-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

144.02028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.027556 125.3
[M+Na]+ 167.009498 136.7
[M-H]- 143.013004 125.0
[M+NH4]+ 162.054103 143.5
[M+K]+ 182.983438 133.2
[M+H-H2O]+ 127.017540 118.5
[M+HCOO]- 189.018481 143.2
[M+CH3COO]- 203.034131 174.7
[M+Na-2H]- 164.994946 133.6
[M]+ 144.01973142 125.6
[M]- 144.02082858 125.6
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