CID 12582969

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

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CCC2=C(C1)C(=NC=N2)Cl
InChI
InChI=1S/C8H9ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2
InChIKey
AHCZEYDUHAFFKD-UHFFFAOYSA-N
Compound name
4-chloro-5,6,7,8-tetrahydroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
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 131.6
[M+Na]+ 191.03465 140.5
[M-H]- 167.03815 132.7
[M+NH4]+ 186.07925 151.3
[M+K]+ 207.00859 136.4
[M+H-H2O]+ 151.04269 124.7
[M+HCOO]- 213.04363 146.2
[M+CH3COO]- 227.05928 144.4
[M+Na-2H]- 189.02010 140.4
[M]+ 168.04488 130.3
[M]- 168.04598 130.3
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