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

104
Patents

189.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.1
[M+Na]+ 212.140968 151.3
[M-H]- 188.144474 146.3
[M+NH4]+ 207.185573 164.1
[M+K]+ 228.114908 147.5
[M+H-H2O]+ 172.149010 139.1
[M+HCOO]- 234.149951 161.0
[M+CH3COO]- 248.165601 182.3
[M+Na-2H]- 210.126416 151.9
[M]+ 189.15120142 140.8
[M]- 189.15229858 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

No literature data available for this compound.

Patent stripe

patents stripe