CID 22929228

4-(aminomethyl)benzaldehyde

Structural Information

Molecular Formula
C8H9NO
SMILES
C1=CC(=CC=C1CN)C=O
InChI
InChI=1S/C8H9NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5,9H2
InChIKey
WTOVNDAVEOVZAL-UHFFFAOYSA-N
Compound name
4-(aminomethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

135.06842 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 126.1
[M+Na]+ 158.05764 138.7
[M+NH4]+ 153.10224 135.0
[M+K]+ 174.03158 132.1
[M-H]- 134.06114 128.9
[M+Na-2H]- 156.04309 133.6
[M]+ 135.06787 128.6
[M]- 135.06897 128.6
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