CID 10375110

1127-86-2

Structural Information

Molecular Formula
C8H10ClN3
SMILES
C1CCC2=C(C1)C(=NC(=N2)Cl)N
InChI
InChI=1S/C8H10ClN3/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4H2,(H2,10,11,12)
InChIKey
FJKFSBRHRGKSGG-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

183.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.063596 136.5
[M+Na]+ 206.045538 145.6
[M-H]- 182.049044 137.5
[M+NH4]+ 201.090143 155.3
[M+K]+ 222.019478 141.0
[M+H-H2O]+ 166.053580 129.8
[M+HCOO]- 228.054521 151.5
[M+CH3COO]- 242.070171 148.9
[M+Na-2H]- 204.030986 143.9
[M]+ 183.05577142 134.0
[M]- 183.05686858 134.0
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