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]+ 176.143376 139.9
[M+Na]+ 198.125318 145.7
[M-H]- 174.128824 141.0
[M+NH4]+ 193.169923 159.2
[M+K]+ 214.099258 142.1
[M+H-H2O]+ 158.133360 133.5
[M+HCOO]- 220.134301 156.7
[M+CH3COO]- 234.149951 180.5
[M+Na-2H]- 196.110766 145.4
[M]+ 175.13555142 135.2
[M]- 175.13664858 135.2
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