CID 18799671

5,6,7,8-tetrahydroisoquinoline-1-carbaldehyde

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CCC2=C(C1)C=CN=C2C=O
InChI
InChI=1S/C10H11NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h5-7H,1-4H2
InChIKey
RFOUJHDITIMDEU-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroisoquinoline-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

161.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 133.1
[M+Na]+ 184.07328 146.9
[M+NH4]+ 179.11788 142.8
[M+K]+ 200.04722 139.2
[M-H]- 160.07678 135.8
[M+Na-2H]- 182.05873 140.2
[M]+ 161.08351 135.8
[M]- 161.08461 135.8
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