CID 46237424

849469-03-0

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=NC(=CC=C1)C#CC2=C/C(=N/O)/CCC2
InChI
InChI=1S/C14H14N2O/c1-11-4-2-6-13(15-11)9-8-12-5-3-7-14(10-12)16-17/h2,4,6,10,17H,3,5,7H2,1H3/b16-14+
InChIKey
UWOHEEOCHCCCNH-JQIJEIRASA-N
Compound name
(NE)-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

226.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 155.9
[M+Na]+ 249.09983 168.6
[M+NH4]+ 244.14443 160.5
[M+K]+ 265.07377 157.9
[M-H]- 225.10333 151.8
[M+Na-2H]- 247.08528 160.5
[M]+ 226.11006 155.7
[M]- 226.11116 155.7
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