CID 13566834

2-methylquinoline-4-carbaldehyde

Structural Information

Molecular Formula
C11H9NO
SMILES
CC1=NC2=CC=CC=C2C(=C1)C=O
InChI
InChI=1S/C11H9NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h2-7H,1H3
InChIKey
NZNFCDOWRMQIDH-UHFFFAOYSA-N
Compound name
2-methylquinoline-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

171.06842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 134.1
[M+Na]+ 194.05764 149.9
[M+NH4]+ 189.10224 143.8
[M+K]+ 210.03158 141.8
[M-H]- 170.06114 137.2
[M+Na-2H]- 192.04309 142.6
[M]+ 171.06787 137.4
[M]- 171.06897 137.4
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