CID 40787015

6-chloro-n,n,2-trimethyl-4-pyrimidinamine

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CC1=NC(=CC(=N1)Cl)N(C)C
InChI
InChI=1S/C7H10ClN3/c1-5-9-6(8)4-7(10-5)11(2)3/h4H,1-3H3
InChIKey
MEFOLQWSRBDONE-UHFFFAOYSA-N
Compound name
6-chloro-N,N,2-trimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

171.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06360 133.0
[M+Na]+ 194.04554 143.2
[M-H]- 170.04904 135.7
[M+NH4]+ 189.09014 152.5
[M+K]+ 210.01948 141.0
[M+H-H2O]+ 154.05358 126.3
[M+HCOO]- 216.05452 152.4
[M+CH3COO]- 230.07017 185.1
[M+Na-2H]- 192.03099 140.1
[M]+ 171.05577 136.3
[M]- 171.05687 136.3
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

patents stripe