CID 15362

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

Structural Information

Molecular Formula
C10H13N
SMILES
CN1CCC2=CC=CC=C2C1
InChI
InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
InChIKey
KYXSVGVQGFPNRQ-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

2841
Patents

147.1048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 129.8
[M+Na]+ 170.09402 137.1
[M-H]- 146.09752 132.6
[M+NH4]+ 165.13862 151.0
[M+K]+ 186.06796 134.5
[M+H-H2O]+ 130.10206 123.3
[M+HCOO]- 192.10300 149.8
[M+CH3COO]- 206.11865 143.1
[M+Na-2H]- 168.07947 138.1
[M]+ 147.10425 126.8
[M]- 147.10535 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe