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-methylpyridin-2-yl)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]+ 227.11789 153.8
[M+Na]+ 249.09983 162.7
[M-H]- 225.10333 156.3
[M+NH4]+ 244.14443 168.2
[M+K]+ 265.07377 156.4
[M+H-H2O]+ 209.10787 139.7
[M+HCOO]- 271.10881 169.6
[M+CH3COO]- 285.12446 197.2
[M+Na-2H]- 247.08528 157.4
[M]+ 226.11006 145.0
[M]- 226.11116 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

No patent data available for this compound.