CID 62374759

1,6,8-trimethyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C12H17N
SMILES
CC1C2=C(C=C(C=C2CCN1)C)C
InChI
InChI=1S/C12H17N/c1-8-6-9(2)12-10(3)13-5-4-11(12)7-8/h6-7,10,13H,4-5H2,1-3H3
InChIKey
WMSKMNBDQAEPER-UHFFFAOYSA-N
Compound name
1,6,8-trimethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.4
[M+Na]+ 198.12532 147.4
[M-H]- 174.12882 141.2
[M+NH4]+ 193.16992 159.4
[M+K]+ 214.09926 143.4
[M+H-H2O]+ 158.13336 133.4
[M+HCOO]- 220.13430 157.2
[M+CH3COO]- 234.14995 181.9
[M+Na-2H]- 196.11077 144.7
[M]+ 175.13555 136.1
[M]- 175.13665 136.1
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