CID 10241077

2-[hydroxy(phenyl)methyl]prop-2-enenitrile

Structural Information

Molecular Formula
C10H9NO
SMILES
C=C(C#N)C(C1=CC=CC=C1)O
InChI
InChI=1S/C10H9NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,10,12H,1H2
InChIKey
SBDMZDGNPLMNDF-UHFFFAOYSA-N
Compound name
2-[hydroxy(phenyl)methyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

159.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 138.1
[M+Na]+ 182.05764 146.8
[M-H]- 158.06114 140.1
[M+NH4]+ 177.10224 156.0
[M+K]+ 198.03158 143.3
[M+H-H2O]+ 142.06568 126.2
[M+HCOO]- 204.06662 155.9
[M+CH3COO]- 218.08227 188.6
[M+Na-2H]- 180.04309 142.2
[M]+ 159.06787 131.0
[M]- 159.06897 131.0
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.