CID 3087480

Crl 41336

Structural Information

Molecular Formula
C10H11ClN2
SMILES
C1C(CN=CN1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H11ClN2/c11-10-3-1-8(2-4-10)9-5-12-7-13-6-9/h1-4,7,9H,5-6H2,(H,12,13)
InChIKey
MTTBKSNWOOMSGC-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.06108 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.068356 140.1
[M+Na]+ 217.050298 147.6
[M-H]- 193.053804 141.9
[M+NH4]+ 212.094903 156.6
[M+K]+ 233.024238 142.1
[M+H-H2O]+ 177.058340 132.4
[M+HCOO]- 239.059281 154.0
[M+CH3COO]- 253.074931 151.7
[M+Na-2H]- 215.035746 146.7
[M]+ 194.06053142 136.3
[M]- 194.06162858 136.3
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