CID 21476490

1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C11H15N
SMILES
CC1C2=C(CCN1)C=C(C=C2)C
InChI
InChI=1S/C11H15N/c1-8-3-4-11-9(2)12-6-5-10(11)7-8/h3-4,7,9,12H,5-6H2,1-2H3
InChIKey
YTEAMSMKABMLJD-UHFFFAOYSA-N
Compound name
1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

161.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 134.9
[M+Na]+ 184.109668 142.4
[M-H]- 160.113174 136.5
[M+NH4]+ 179.154273 155.2
[M+K]+ 200.083608 138.6
[M+H-H2O]+ 144.117710 128.8
[M+HCOO]- 206.118651 153.1
[M+CH3COO]- 220.134301 147.5
[M+Na-2H]- 182.095116 141.5
[M]+ 161.11990142 130.9
[M]- 161.12099858 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

No literature data available for this compound.

Patent stripe

patents stripe