CID 458680

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

Structural Information

Molecular Formula
C10H13N
SMILES
CC1=CC2=C(CCCN2)C=C1
InChI
InChI=1S/C10H13N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h4-5,7,11H,2-3,6H2,1H3
InChIKey
SYFXGQYGECZNFQ-UHFFFAOYSA-N
Compound name
7-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
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 131.0
[M+Na]+ 170.09402 144.6
[M+NH4]+ 165.13862 141.2
[M+K]+ 186.06796 136.8
[M-H]- 146.09752 133.9
[M+Na-2H]- 168.07947 138.1
[M]+ 147.10425 133.8
[M]- 147.10535 133.8
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