CID 589766

1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C11H15N
SMILES
CC1(C2=CC=CC=C2CCN1)C
InChI
InChI=1S/C11H15N/c1-11(2)10-6-4-3-5-9(10)7-8-12-11/h3-6,12H,7-8H2,1-2H3
InChIKey
PJFODMSKYKYLCZ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3,4-dihydro-2H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

161.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 135.5
[M+Na]+ 184.109668 143.0
[M-H]- 160.113174 137.1
[M+NH4]+ 179.154273 157.5
[M+K]+ 200.083608 139.4
[M+H-H2O]+ 144.117710 129.5
[M+HCOO]- 206.118651 153.7
[M+CH3COO]- 220.134301 148.1
[M+Na-2H]- 182.095116 143.7
[M]+ 161.11990142 131.3
[M]- 161.12099858 131.3
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