CID 80665031

2-(1-chloroethyl)pyrimidine hydrochloride

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC(C1=NC=CC=N1)Cl
InChI
InChI=1S/C6H7ClN2/c1-5(7)6-8-3-2-4-9-6/h2-5H,1H3
InChIKey
MSWLSTYPNQQTNW-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

142.02977 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 124.2
[M+Na]+ 165.01899 133.4
[M-H]- 141.02249 125.0
[M+NH4]+ 160.06359 143.8
[M+K]+ 180.99293 130.6
[M+H-H2O]+ 125.02703 117.9
[M+HCOO]- 187.02797 141.4
[M+CH3COO]- 201.04362 172.5
[M+Na-2H]- 163.00444 132.6
[M]+ 142.02922 125.2
[M]- 142.03032 125.2
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