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

222
Patents

149.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.0
[M+Na]+ 172.07328 138.7
[M-H]- 148.07678 133.2
[M+NH4]+ 167.11788 150.6
[M+K]+ 188.04722 136.4
[M+H-H2O]+ 132.08132 123.9
[M+HCOO]- 194.08226 154.4
[M+CH3COO]- 208.09791 180.0
[M+Na-2H]- 170.05873 134.4
[M]+ 149.08351 129.1
[M]- 149.08461 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