CID 12933876

2-chloro-5,6,7,8-tetrahydroquinazoline

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CCC2=NC(=NC=C2C1)Cl
InChI
InChI=1S/C8H9ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h5H,1-4H2
InChIKey
OWQMLYNISASSPM-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8-tetrahydroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

168.04543 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05271 131.4
[M+Na]+ 191.03465 146.6
[M+NH4]+ 186.07925 141.7
[M+K]+ 207.00859 138.3
[M-H]- 167.03815 134.1
[M+Na-2H]- 189.02010 139.3
[M]+ 168.04488 134.7
[M]- 168.04598 134.7
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