CID 209263

19623-23-5

Structural Information

Molecular Formula
C9H15N3
SMILES
CC1=C2CCCCC2N=C(N1)N
InChI
InChI=1S/C9H15N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h8H,2-5H2,1H3,(H3,10,11,12)
InChIKey
OTNVKCUHYARPSL-UHFFFAOYSA-N
Compound name
4-methyl-3,5,6,7,8,8a-hexahydroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.133876 137.2
[M+Na]+ 188.115818 143.8
[M-H]- 164.119324 136.7
[M+NH4]+ 183.160423 155.2
[M+K]+ 204.089758 140.0
[M+H-H2O]+ 148.123860 130.1
[M+HCOO]- 210.124801 153.6
[M+CH3COO]- 224.140451 148.4
[M+Na-2H]- 186.101266 143.1
[M]+ 165.12605142 129.9
[M]- 165.12714858 129.9
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

No patent data available for this compound.