CID 83358431

2728580-54-7

Structural Information

Molecular Formula
C10H12ClN
SMILES
CC1C2=C(CCN1)C=CC=C2Cl
InChI
InChI=1S/C10H12ClN/c1-7-10-8(5-6-12-7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3
InChIKey
XQJJFCORRLYLQE-UHFFFAOYSA-N
Compound name
8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.06583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 135.9
[M+Na]+ 204.05505 150.8
[M+NH4]+ 199.09965 146.4
[M+K]+ 220.02899 142.3
[M-H]- 180.05855 139.0
[M+Na-2H]- 202.04050 142.9
[M]+ 181.06528 139.3
[M]- 181.06638 139.3
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

No patent data available for this compound.