CID 45083661

2-amino-4,5-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC(=C(C=C1C)N)C=O
InChI
InChI=1S/C9H11NO/c1-6-3-8(5-11)9(10)4-7(6)2/h3-5H,10H2,1-2H3
InChIKey
ZLTGKIQFUWZNEV-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe