CID 22460689

(4-chloropyrimidin-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=CN=C(N=C1Cl)CN
InChI
InChI=1S/C5H6ClN3/c6-4-1-2-8-5(3-7)9-4/h1-2H,3,7H2
InChIKey
QOOOBFRFSANJDY-UHFFFAOYSA-N
Compound name
(4-chloropyrimidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

143.02502 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03230 124.8
[M+Na]+ 166.01424 134.8
[M-H]- 142.01774 125.5
[M+NH4]+ 161.05884 144.2
[M+K]+ 181.98818 131.3
[M+H-H2O]+ 126.02228 118.6
[M+HCOO]- 188.02322 143.8
[M+CH3COO]- 202.03887 173.7
[M+Na-2H]- 163.99969 133.4
[M]+ 143.02447 124.7
[M]- 143.02557 124.7
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