CID 18965208

148312-27-0

Structural Information

Molecular Formula
C7H9ClN4
SMILES
CC1=NC(=NC(=N1)Cl)NC2CC2
InChI
InChI=1S/C7H9ClN4/c1-4-9-6(8)12-7(10-4)11-5-2-3-5/h5H,2-3H2,1H3,(H,9,10,11,12)
InChIKey
UTQMJAKKVFHHDI-UHFFFAOYSA-N
Compound name
4-chloro-N-cyclopropyl-6-methyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.05157 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.058846 143.9
[M+Na]+ 207.040788 155.4
[M-H]- 183.044294 147.3
[M+NH4]+ 202.085393 155.7
[M+K]+ 223.014728 150.0
[M+H-H2O]+ 167.048830 135.4
[M+HCOO]- 229.049771 162.1
[M+CH3COO]- 243.065421 156.0
[M+Na-2H]- 205.026236 151.0
[M]+ 184.05102142 146.9
[M]- 184.05211858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe