CID 24257341

7-tert-butyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)(C)C1=CC2=C(CCNC2)C=C1
InChI
InChI=1S/C13H19N/c1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12/h4-5,8,14H,6-7,9H2,1-3H3
InChIKey
NVRAXZJJQUKBFF-UHFFFAOYSA-N
Compound name
7-tert-butyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
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 144.9
[M+Na]+ 212.14097 157.6
[M+NH4]+ 207.18557 154.4
[M+K]+ 228.11491 150.3
[M-H]- 188.14447 147.1
[M+Na-2H]- 210.12642 151.1
[M]+ 189.15120 147.4
[M]- 189.15230 147.4
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