CID 83854675

2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1=CC(=C2CCCCC2=N1)C=O
InChI
InChI=1S/C11H13NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h6-7H,2-5H2,1H3
InChIKey
OJCZPYXJCAQNJJ-UHFFFAOYSA-N
Compound name
2-methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 136.3
[M+Na]+ 198.08894 144.5
[M-H]- 174.09244 139.3
[M+NH4]+ 193.13354 156.6
[M+K]+ 214.06288 141.5
[M+H-H2O]+ 158.09698 129.7
[M+HCOO]- 220.09792 156.4
[M+CH3COO]- 234.11357 181.5
[M+Na-2H]- 196.07439 143.4
[M]+ 175.09917 134.9
[M]- 175.10027 134.9
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