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

14
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

literature stripe

Patent stripe

patents stripe