CID 68116

Nicopholine

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1COCCN1C(=O)C2=CN=CC=C2
InChI
InChI=1S/C10H12N2O2/c13-10(9-2-1-3-11-8-9)12-4-6-14-7-5-12/h1-3,8H,4-7H2
InChIKey
QLPQPTXSAXQCMR-UHFFFAOYSA-N
Compound name
morpholin-4-yl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

192.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.1
[M+Na]+ 215.07909 146.5
[M-H]- 191.08259 144.8
[M+NH4]+ 210.12369 155.8
[M+K]+ 231.05303 145.8
[M+H-H2O]+ 175.08713 132.3
[M+HCOO]- 237.08807 158.6
[M+CH3COO]- 251.10372 179.8
[M+Na-2H]- 213.06454 147.9
[M]+ 192.08932 137.5
[M]- 192.09042 137.5
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