CID 74366

3-aminobenzaldehyde

Structural Information

Molecular Formula
C7H7NO
SMILES
C1=CC(=CC(=C1)N)C=O
InChI
InChI=1S/C7H7NO/c8-7-3-1-2-6(4-7)5-9/h1-5H,8H2
InChIKey
SIXYIEWSUKAOEN-UHFFFAOYSA-N
Compound name
3-aminobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1884
Patents

121.052765 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 120.6
[M+Na]+ 144.04198 129.3
[M-H]- 120.04549 124.4
[M+NH4]+ 139.08659 142.7
[M+K]+ 160.01592 127.4
[M+H-H2O]+ 104.05002 115.4
[M+HCOO]- 166.05097 146.7
[M+CH3COO]- 180.06662 171.6
[M+Na-2H]- 142.02743 128.6
[M]+ 121.05222 119.2
[M]- 121.05331 119.2
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