CID 3070102

Brn 5005909

Structural Information

Molecular Formula
C9H12ClN3
SMILES
CC1=NC(=C(C(=N1)Cl)CC=C)NC
InChI
InChI=1S/C9H12ClN3/c1-4-5-7-8(10)12-6(2)13-9(7)11-3/h4H,1,5H2,2-3H3,(H,11,12,13)
InChIKey
MPFXSVYHELXCRV-UHFFFAOYSA-N
Compound name
6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.07198 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.079256 141.9
[M+Na]+ 220.061198 152.3
[M-H]- 196.064704 143.2
[M+NH4]+ 215.105803 159.9
[M+K]+ 236.035138 147.6
[M+H-H2O]+ 180.069240 135.4
[M+HCOO]- 242.070181 160.3
[M+CH3COO]- 256.085831 187.9
[M+Na-2H]- 218.046646 147.8
[M]+ 197.07143142 144.3
[M]- 197.07252858 144.3
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.