CID 69460

1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H11N
SMILES
C1CC2=CC=CC=C2NC1
InChI
InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2
InChIKey
LBUJPTNKIBCYBY-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

325
References

88283
Patents

133.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 125.7
[M+Na]+ 156.07836 132.2
[M-H]- 132.08186 126.9
[M+NH4]+ 151.12296 146.4
[M+K]+ 172.05230 128.8
[M+H-H2O]+ 116.08640 119.5
[M+HCOO]- 178.08734 144.6
[M+CH3COO]- 192.10299 138.4
[M+Na-2H]- 154.06381 134.9
[M]+ 133.08859 120.2
[M]- 133.08969 120.2
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