CID 18404634

6-aminonicotinaldehyde

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1=CC(=NC=C1C=O)N
InChI
InChI=1S/C6H6N2O/c7-6-2-1-5(4-9)3-8-6/h1-4H,(H2,7,8)
InChIKey
BMNPVMQSUPTGFD-UHFFFAOYSA-N
Compound name
6-aminopyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

447
Patents

122.04801 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 120.7
[M+Na]+ 145.037228 129.9
[M-H]- 121.040734 123.1
[M+NH4]+ 140.081833 141.4
[M+K]+ 161.011168 128.0
[M+H-H2O]+ 105.045270 114.6
[M+HCOO]- 167.046211 145.9
[M+CH3COO]- 181.061861 171.2
[M+Na-2H]- 143.022676 129.2
[M]+ 122.04746142 119.4
[M]- 122.04855858 119.4
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