CID 9576755

Brn 3032386

Structural Information

Molecular Formula
C12H13NO2
SMILES
C/C(=N\O)/C(C)(C#CC1=CC=CC=C1)O
InChI
InChI=1S/C12H13NO2/c1-10(13-15)12(2,14)9-8-11-6-4-3-5-7-11/h3-7,14-15H,1-2H3/b13-10+
InChIKey
OOBRKYBQULLXGD-JLHYYAGUSA-N
Compound name
(4E)-4-hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 148.5
[M+Na]+ 226.08386 158.5
[M+NH4]+ 221.12846 152.0
[M+K]+ 242.05780 150.4
[M-H]- 202.08736 141.3
[M+Na-2H]- 224.06931 150.9
[M]+ 203.09409 146.9
[M]- 203.09519 146.9
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.