CID 13738934

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

Structural Information

Molecular Formula
C10H13N
SMILES
CC1CNCC2=CC=CC=C12
InChI
InChI=1S/C10H13N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,8,11H,6-7H2,1H3
InChIKey
TWIPIAJYKZMIPL-UHFFFAOYSA-N
Compound name
4-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

123
Patents

147.1048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 131.0
[M+Na]+ 170.09402 144.6
[M+NH4]+ 165.13862 141.2
[M+K]+ 186.06796 136.8
[M-H]- 146.09752 133.9
[M+Na-2H]- 168.07947 138.1
[M]+ 147.10425 133.8
[M]- 147.10535 133.8
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