CID 13931070

5-methyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H13N
SMILES
CC1=C2CCCNC2=CC=C1
InChI
InChI=1S/C10H13N/c1-8-4-2-6-10-9(8)5-3-7-11-10/h2,4,6,11H,3,5,7H2,1H3
InChIKey
YQQLVNSNKMHJCI-UHFFFAOYSA-N
Compound name
5-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

147.1048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 130.4
[M+Na]+ 170.094018 137.3
[M-H]- 146.097524 131.8
[M+NH4]+ 165.138623 150.9
[M+K]+ 186.067958 133.8
[M+H-H2O]+ 130.102060 124.2
[M+HCOO]- 192.103001 148.9
[M+CH3COO]- 206.118651 143.0
[M+Na-2H]- 168.079466 138.3
[M]+ 147.10425142 125.6
[M]- 147.10534858 125.6
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