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

64
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 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

literature stripe

Patent stripe

patents stripe