CID 129016

127662-53-7

Structural Information

Molecular Formula
C11H15N
SMILES
CC1CC2=CC=CC=C2C(N1)C
InChI
InChI=1S/C11H15N/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-6,8-9,12H,7H2,1-2H3
InChIKey
OASVVFGGGPJVPM-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

127
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 134.9
[M+Na]+ 184.10967 142.4
[M-H]- 160.11317 136.5
[M+NH4]+ 179.15427 155.2
[M+K]+ 200.08361 138.6
[M+H-H2O]+ 144.11771 128.8
[M+HCOO]- 206.11865 153.1
[M+CH3COO]- 220.13430 147.5
[M+Na-2H]- 182.09512 141.5
[M]+ 161.11990 130.9
[M]- 161.12100 130.9
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