CID 80486052

4-(chloromethyl)-2-(cyclopropylmethyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C10H13ClN2
SMILES
CC1=CC(=NC(=N1)CC2CC2)CCl
InChI
InChI=1S/C10H13ClN2/c1-7-4-9(6-11)13-10(12-7)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3
InChIKey
WPBBHNMJNOUEAR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(cyclopropylmethyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07672 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08400 144.8
[M+Na]+ 219.06594 155.9
[M-H]- 195.06944 149.3
[M+NH4]+ 214.11054 157.9
[M+K]+ 235.03988 150.7
[M+H-H2O]+ 179.07398 136.9
[M+HCOO]- 241.07492 162.4
[M+CH3COO]- 255.09057 187.5
[M+Na-2H]- 217.05139 150.5
[M]+ 196.07617 149.2
[M]- 196.07727 149.2
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.