CID 62758086

1211530-64-1

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 136.4
[M+Na]+ 191.03465 147.4
[M-H]- 167.03815 140.8
[M+NH4]+ 186.07925 150.2
[M+K]+ 207.00859 142.7
[M+H-H2O]+ 151.04269 128.6
[M+HCOO]- 213.04363 154.6
[M+CH3COO]- 227.05928 149.3
[M+Na-2H]- 189.02010 143.8
[M]+ 168.04488 139.6
[M]- 168.04598 139.6
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