CID 17944249

6-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

181.06583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 136.6
[M+Na]+ 204.055048 145.3
[M-H]- 180.058554 138.0
[M+NH4]+ 199.099653 156.8
[M+K]+ 220.028988 139.9
[M+H-H2O]+ 164.063090 131.2
[M+HCOO]- 226.064031 150.4
[M+CH3COO]- 240.079681 149.1
[M+Na-2H]- 202.040496 143.2
[M]+ 181.06528142 134.1
[M]- 181.06637858 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