CID 4962065

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

Structural Information

Molecular Formula
C9H13N3
SMILES
CC1=C2CCCCC2=NC(=N1)N
InChI
InChI=1S/C9H13N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H2,1H3,(H2,10,11,12)
InChIKey
SNRKDMNNDAVJSI-UHFFFAOYSA-N
Compound name
4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

30
Patents

163.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 135.0
[M+Na]+ 186.10017 143.0
[M-H]- 162.10367 136.2
[M+NH4]+ 181.14477 153.9
[M+K]+ 202.07411 139.9
[M+H-H2O]+ 146.10821 127.6
[M+HCOO]- 208.10915 154.4
[M+CH3COO]- 222.12480 147.4
[M+Na-2H]- 184.08562 142.4
[M]+ 163.11040 130.9
[M]- 163.11150 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

literature stripe

Patent stripe

patents stripe