CID 62758086

5-(chloromethyl)-2-cyclopropylpyrimidine

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CC1C2=NC=C(C=N2)CCl
InChI
InChI=1S/C8H9ClN2/c9-3-6-4-10-8(11-5-6)7-1-2-7/h4-5,7H,1-3H2
InChIKey
MKQYVUJESGXNBT-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.04543 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05271 133.7
[M+Na]+ 191.03465 149.9
[M+NH4]+ 186.07925 143.6
[M+K]+ 207.00859 143.5
[M-H]- 167.03815 143.5
[M+Na-2H]- 189.02010 145.1
[M]+ 168.04488 140.2
[M]- 168.04598 140.2
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

patents stripe