CID 2735784

2-chloro-5-propylpyrimidine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CCCC1=CN=C(N=C1)Cl
InChI
InChI=1S/C7H9ClN2/c1-2-3-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChIKey
WVPHBBSAPVBUGZ-UHFFFAOYSA-N
Compound name
2-chloro-5-propylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

156.04543 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 128.7
[M+Na]+ 179.03465 138.7
[M-H]- 155.03815 129.5
[M+NH4]+ 174.07925 148.2
[M+K]+ 195.00859 135.2
[M+H-H2O]+ 139.04269 122.3
[M+HCOO]- 201.04363 146.6
[M+CH3COO]- 215.05928 175.7
[M+Na-2H]- 177.02010 137.0
[M]+ 156.04488 131.0
[M]- 156.04598 131.0
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