CID 86854

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

Structural Information

Molecular Formula
C10H13N
SMILES
CC1CCNC2=CC=CC=C12
InChI
InChI=1S/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3
InChIKey
OXNZWCYNCDWCJA-UHFFFAOYSA-N
Compound name
4-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

198
Patents

147.1048 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe