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

92
Patents

161.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 135.5
[M+Na]+ 184.10967 143.0
[M-H]- 160.11317 137.1
[M+NH4]+ 179.15427 157.5
[M+K]+ 200.08361 139.4
[M+H-H2O]+ 144.11771 129.5
[M+HCOO]- 206.11865 153.7
[M+CH3COO]- 220.13430 148.1
[M+Na-2H]- 182.09512 143.7
[M]+ 161.11990 131.3
[M]- 161.12100 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