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]+ 143.037046 124.2
[M+Na]+ 165.018988 133.4
[M-H]- 141.022494 125.0
[M+NH4]+ 160.063593 143.8
[M+K]+ 180.992928 130.6
[M+H-H2O]+ 125.027030 117.9
[M+HCOO]- 187.027971 141.4
[M+CH3COO]- 201.043621 172.5
[M+Na-2H]- 163.004436 132.6
[M]+ 142.02922142 125.2
[M]- 142.03031858 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