CID 18613788

2580185-08-4

Structural Information

Molecular Formula
C10H12ClN
SMILES
CC1C2=C(CCN1)C=CC(=C2)Cl
InChI
InChI=1S/C10H12ClN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3
InChIKey
GHIIYGFXXDYEKQ-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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 136.6
[M+Na]+ 204.05505 145.3
[M-H]- 180.05855 138.0
[M+NH4]+ 199.09965 156.8
[M+K]+ 220.02899 139.9
[M+H-H2O]+ 164.06309 131.2
[M+HCOO]- 226.06403 150.4
[M+CH3COO]- 240.07968 149.1
[M+Na-2H]- 202.04050 143.2
[M]+ 181.06528 134.1
[M]- 181.06638 134.1
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