CID 22559963

2-amino-3,4-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=C(C(=C(C=C1)C=O)N)C
InChI
InChI=1S/C9H11NO/c1-6-3-4-8(5-11)9(10)7(6)2/h3-5H,10H2,1-2H3
InChIKey
WOJTWFDHXZSXMG-UHFFFAOYSA-N
Compound name
2-amino-3,4-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

233
Patents

149.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.0
[M+Na]+ 172.073278 138.7
[M-H]- 148.076784 133.2
[M+NH4]+ 167.117883 150.6
[M+K]+ 188.047218 136.4
[M+H-H2O]+ 132.081320 123.9
[M+HCOO]- 194.082261 154.4
[M+CH3COO]- 208.097911 180.0
[M+Na-2H]- 170.058726 134.4
[M]+ 149.08351142 129.1
[M]- 149.08460858 129.1
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