CID 267569

2-(methylamino)benzaldehyde

Structural Information

Molecular Formula
C8H9NO
SMILES
CNC1=CC=CC=C1C=O
InChI
InChI=1S/C8H9NO/c1-9-8-5-3-2-4-7(8)6-10/h2-6,9H,1H3
InChIKey
LIZGLUQDMOJDMM-UHFFFAOYSA-N
Compound name
2-(methylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

534
Patents

135.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 124.7
[M+Na]+ 158.05764 132.9
[M-H]- 134.06114 128.8
[M+NH4]+ 153.10224 146.5
[M+K]+ 174.03158 131.1
[M+H-H2O]+ 118.06568 119.2
[M+HCOO]- 180.06662 151.1
[M+CH3COO]- 194.08227 175.3
[M+Na-2H]- 156.04309 133.1
[M]+ 135.06787 124.6
[M]- 135.06897 124.6
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