CID 2793014

1-methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde

Structural Information

Molecular Formula
C11H13NO
SMILES
CN1CCCC2=C1C=CC(=C2)C=O
InChI
InChI=1S/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKey
XPXZIZIGEKZVMQ-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

88
Patents

175.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 136.3
[M+Na]+ 198.088938 144.5
[M-H]- 174.092444 139.3
[M+NH4]+ 193.133543 156.6
[M+K]+ 214.062878 141.5
[M+H-H2O]+ 158.096980 129.7
[M+HCOO]- 220.097921 156.4
[M+CH3COO]- 234.113571 181.5
[M+Na-2H]- 196.074386 143.4
[M]+ 175.09917142 134.9
[M]- 175.10026858 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

literature stripe

Patent stripe

patents stripe