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]+ 204.101916 153.1
[M+Na]+ 226.083858 161.2
[M-H]- 202.087364 153.8
[M+NH4]+ 221.128463 169.0
[M+K]+ 242.057798 157.2
[M+H-H2O]+ 186.091900 141.4
[M+HCOO]- 248.092841 168.6
[M+CH3COO]- 262.108491 191.2
[M+Na-2H]- 224.069306 157.2
[M]+ 203.09409142 146.1
[M]- 203.09518858 146.1
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.