CID 59145441

5-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)C1=CC=CC2=C1CCNC2
InChI
InChI=1S/C12H17N/c1-9(2)11-5-3-4-10-8-13-7-6-12(10)11/h3-5,9,13H,6-8H2,1-2H3
InChIKey
ZHROCRROFLFSQX-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.2
[M+Na]+ 198.12532 153.0
[M+NH4]+ 193.16992 149.9
[M+K]+ 214.09926 145.5
[M-H]- 174.12882 142.9
[M+Na-2H]- 196.11077 146.3
[M]+ 175.13555 142.8
[M]- 175.13665 142.8
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