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

10
Patents

183.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06360 136.5
[M+Na]+ 206.04554 145.6
[M-H]- 182.04904 137.5
[M+NH4]+ 201.09014 155.3
[M+K]+ 222.01948 141.0
[M+H-H2O]+ 166.05358 129.8
[M+HCOO]- 228.05452 151.5
[M+CH3COO]- 242.07017 148.9
[M+Na-2H]- 204.03099 143.9
[M]+ 183.05577 134.0
[M]- 183.05687 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