CID 13891184

2-amino-4-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

135.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 125.7
[M+Na]+ 158.05764 138.7
[M+NH4]+ 153.10224 134.7
[M+K]+ 174.03158 132.3
[M-H]- 134.06114 128.6
[M+Na-2H]- 156.04309 133.1
[M]+ 135.06787 128.3
[M]- 135.06897 128.3
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

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