CID 15519084

6-(tert-butyl)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)(C)C1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C13H19N/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12/h4-5,8,14H,6-7,9H2,1-3H3
InChIKey
VORVPPDFYWENEL-UHFFFAOYSA-N
Compound name
6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

189.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.1
[M+Na]+ 212.14097 151.3
[M-H]- 188.14447 146.3
[M+NH4]+ 207.18557 164.1
[M+K]+ 228.11491 147.5
[M+H-H2O]+ 172.14901 139.1
[M+HCOO]- 234.14995 161.0
[M+CH3COO]- 248.16560 182.3
[M+Na-2H]- 210.12642 151.9
[M]+ 189.15120 140.8
[M]- 189.15230 140.8
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