CID 101466

N-cyclopropylisonicotinamide

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CC1NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C9H10N2O/c12-9(11-8-1-2-8)7-3-5-10-6-4-7/h3-6,8H,1-2H2,(H,11,12)
InChIKey
PTRHJJHEZUMSQS-UHFFFAOYSA-N
Compound name
N-cyclopropylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

162.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 134.6
[M+Na]+ 185.06854 143.2
[M-H]- 161.07204 140.8
[M+NH4]+ 180.11314 148.7
[M+K]+ 201.04248 140.3
[M+H-H2O]+ 145.07658 127.1
[M+HCOO]- 207.07752 159.0
[M+CH3COO]- 221.09317 182.0
[M+Na-2H]- 183.05399 142.3
[M]+ 162.07877 135.4
[M]- 162.07987 135.4
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