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

126
Patents

147.1048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 130.4
[M+Na]+ 170.09402 137.3
[M-H]- 146.09752 131.8
[M+NH4]+ 165.13862 150.9
[M+K]+ 186.06796 133.8
[M+H-H2O]+ 130.10206 124.2
[M+HCOO]- 192.10300 148.9
[M+CH3COO]- 206.11865 143.0
[M+Na-2H]- 168.07947 138.3
[M]+ 147.10425 125.6
[M]- 147.10535 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