CID 10176253

(s)-2-hydroxy-4-phenyl-3-butenenitrile

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC=C(C=C1)/C=C/[C@@H](C#N)O
InChI
InChI=1S/C10H9NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10,12H/b7-6+/t10-/m0/s1
InChIKey
FJMOXBHYSJFRPZ-FGEFZZPRSA-N
Compound name
(E,2S)-2-hydroxy-4-phenylbut-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

159.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 137.2
[M+Na]+ 182.05764 146.2
[M-H]- 158.06114 139.1
[M+NH4]+ 177.10224 155.2
[M+K]+ 198.03158 142.3
[M+H-H2O]+ 142.06568 125.2
[M+HCOO]- 204.06662 155.9
[M+CH3COO]- 218.08227 187.2
[M+Na-2H]- 180.04309 142.6
[M]+ 159.06787 130.7
[M]- 159.06897 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe