CID 45083658

5-methyl-2-(methylamino)benzaldehyde

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC(=C(C=C1)NC)C=O
InChI
InChI=1S/C9H11NO/c1-7-3-4-9(10-2)8(5-7)6-11/h3-6,10H,1-2H3
InChIKey
HKIOILVVCFTJTI-UHFFFAOYSA-N
Compound name
5-methyl-2-(methylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

149.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.8
[M+Na]+ 172.073278 137.6
[M-H]- 148.076784 133.2
[M+NH4]+ 167.117883 150.4
[M+K]+ 188.047218 135.6
[M+H-H2O]+ 132.081320 123.4
[M+HCOO]- 194.082261 154.9
[M+CH3COO]- 208.097911 179.5
[M+Na-2H]- 170.058726 136.1
[M]+ 149.08351142 129.6
[M]- 149.08460858 129.6
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