CID 23046538

2-amino-6-methylbenzaldehyde

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1=C(C(=CC=C1)N)C=O
InChI
InChI=1S/C8H9NO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,9H2,1H3
InChIKey
FETAMGUXMBZISE-UHFFFAOYSA-N
Compound name
2-amino-6-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

135.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 124.9
[M+Na]+ 158.057638 134.1
[M-H]- 134.061144 128.9
[M+NH4]+ 153.102243 146.7
[M+K]+ 174.031578 132.0
[M+H-H2O]+ 118.065680 119.7
[M+HCOO]- 180.066621 150.6
[M+CH3COO]- 194.082271 175.8
[M+Na-2H]- 156.043086 131.5
[M]+ 135.06787142 124.2
[M]- 135.06896858 124.2
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