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

51
Patents

135.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 124.9
[M+Na]+ 158.05764 134.1
[M-H]- 134.06114 128.9
[M+NH4]+ 153.10224 146.7
[M+K]+ 174.03158 132.0
[M+H-H2O]+ 118.06568 119.7
[M+HCOO]- 180.06662 150.6
[M+CH3COO]- 194.08227 175.8
[M+Na-2H]- 156.04309 131.5
[M]+ 135.06787 124.2
[M]- 135.06897 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