CID 54593134

2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

Structural Information

Molecular Formula
C9H13N3
SMILES
CC1=NC=C2C(CCCC2=N1)N
InChI
InChI=1S/C9H13N3/c1-6-11-5-7-8(10)3-2-4-9(7)12-6/h5,8H,2-4,10H2,1H3
InChIKey
PMXMWNSGCDPEFP-UHFFFAOYSA-N
Compound name
2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

163.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 135.0
[M+Na]+ 186.100168 143.0
[M-H]- 162.103674 136.2
[M+NH4]+ 181.144773 153.9
[M+K]+ 202.074108 139.9
[M+H-H2O]+ 146.108210 127.6
[M+HCOO]- 208.109151 154.4
[M+CH3COO]- 222.124801 147.4
[M+Na-2H]- 184.085616 142.4
[M]+ 163.11040142 130.9
[M]- 163.11149858 130.9
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