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]+ 176.143376 139.4
[M+Na]+ 198.125318 147.4
[M-H]- 174.128824 141.2
[M+NH4]+ 193.169923 159.4
[M+K]+ 214.099258 143.4
[M+H-H2O]+ 158.133360 133.4
[M+HCOO]- 220.134301 157.2
[M+CH3COO]- 234.149951 181.9
[M+Na-2H]- 196.110766 144.7
[M]+ 175.13555142 136.1
[M]- 175.13664858 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