CID 108222546

2-[methyl(prop-2-yn-1-yl)amino]pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C10H10N2O
SMILES
CN(CC#C)C1=C(C=CC=N1)C=O
InChI
InChI=1S/C10H10N2O/c1-3-7-12(2)10-9(8-13)5-4-6-11-10/h1,4-6,8H,7H2,2H3
InChIKey
KQGFVRGZFFKQAH-UHFFFAOYSA-N
Compound name
2-[methyl(prop-2-ynyl)amino]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 136.6
[M+Na]+ 197.06854 146.3
[M-H]- 173.07204 138.4
[M+NH4]+ 192.11314 153.5
[M+K]+ 213.04248 143.5
[M+H-H2O]+ 157.07658 123.3
[M+HCOO]- 219.07752 155.4
[M+CH3COO]- 233.09317 193.5
[M+Na-2H]- 195.05399 142.0
[M]+ 174.07877 132.5
[M]- 174.07987 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.