CID 594161

3,4-dihydro-1,3,3-trimethylisoquinoline hydriodide

Structural Information

Molecular Formula
C12H15N
SMILES
CC1=NC(CC2=CC=CC=C12)(C)C
InChI
InChI=1S/C12H15N/c1-9-11-7-5-4-6-10(11)8-12(2,3)13-9/h4-7H,8H2,1-3H3
InChIKey
HFNOAVXTUXLYNM-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-4H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

173.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 136.9
[M+Na]+ 196.109668 146.5
[M-H]- 172.113174 140.6
[M+NH4]+ 191.154273 159.6
[M+K]+ 212.083608 143.3
[M+H-H2O]+ 156.117710 130.7
[M+HCOO]- 218.118651 157.8
[M+CH3COO]- 232.134301 182.6
[M+Na-2H]- 194.095116 145.5
[M]+ 173.11990142 136.8
[M]- 173.12099858 136.8
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