CID 145874737

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-PEZBUJJGSA-N
Compound name
(NZ)-N-[3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 153.8
[M+Na]+ 249.099828 162.7
[M-H]- 225.103334 156.3
[M+NH4]+ 244.144433 168.2
[M+K]+ 265.073768 156.4
[M+H-H2O]+ 209.107870 139.7
[M+HCOO]- 271.108811 169.6
[M+CH3COO]- 285.124461 197.2
[M+Na-2H]- 247.085276 157.4
[M]+ 226.11006142 145.0
[M]- 226.11115858 145.0
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