CID 231502

1-methyl-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C10H11N
SMILES
CC1=NCCC2=CC=CC=C12
InChI
InChI=1S/C10H11N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5H,6-7H2,1H3
InChIKey
JZZLDIIDMFCOGF-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

307
Patents

145.08914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 128.0
[M+Na]+ 168.07836 136.5
[M-H]- 144.08186 131.2
[M+NH4]+ 163.12296 149.4
[M+K]+ 184.05230 133.6
[M+H-H2O]+ 128.08640 121.6
[M+HCOO]- 190.08734 149.5
[M+CH3COO]- 204.10299 141.9
[M+Na-2H]- 166.06381 137.4
[M]+ 145.08859 126.5
[M]- 145.08969 126.5
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