CID 1519484

127446-35-9

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC(C)(C)C(=O)NC1=C(C=CN=C1)C=O
InChI
InChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-6-12-5-4-8(9)7-14/h4-7H,1-3H3,(H,13,15)
InChIKey
DGVSJDANXUJTRG-UHFFFAOYSA-N
Compound name
N-(4-formyl-3-pyridinyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

206.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 145.9
[M+Na]+ 229.094748 153.4
[M-H]- 205.098254 148.5
[M+NH4]+ 224.139353 163.6
[M+K]+ 245.068688 151.6
[M+H-H2O]+ 189.102790 139.4
[M+HCOO]- 251.103731 167.9
[M+CH3COO]- 265.119381 188.1
[M+Na-2H]- 227.080196 152.3
[M]+ 206.10498142 146.9
[M]- 206.10607858 146.9
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

patents stripe