CID 22832126

3-methylquinoline-2-carbaldehyde

Structural Information

Molecular Formula
C11H9NO
SMILES
CC1=CC2=CC=CC=C2N=C1C=O
InChI
InChI=1S/C11H9NO/c1-8-6-9-4-2-3-5-10(9)12-11(8)7-13/h2-7H,1H3
InChIKey
PJEIWNDQRUDUBL-UHFFFAOYSA-N
Compound name
3-methylquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

171.06842 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 133.1
[M+Na]+ 194.05764 143.4
[M-H]- 170.06114 136.9
[M+NH4]+ 189.10224 153.7
[M+K]+ 210.03158 140.0
[M+H-H2O]+ 154.06568 126.6
[M+HCOO]- 216.06662 156.1
[M+CH3COO]- 230.08227 180.8
[M+Na-2H]- 192.04309 142.3
[M]+ 171.06787 134.5
[M]- 171.06897 134.5
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