CID 103375887

2-(2-hydroxyethoxy)-2-phenylacetonitrile

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1=CC=C(C=C1)C(C#N)OCCO
InChI
InChI=1S/C10H11NO2/c11-8-10(13-7-6-12)9-4-2-1-3-5-9/h1-5,10,12H,6-7H2
InChIKey
HWCQTWUTGDDSHN-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 139.1
[M+Na]+ 200.06820 147.7
[M-H]- 176.07170 140.9
[M+NH4]+ 195.11280 156.4
[M+K]+ 216.04214 144.9
[M+H-H2O]+ 160.07624 126.8
[M+HCOO]- 222.07718 157.9
[M+CH3COO]- 236.09283 190.4
[M+Na-2H]- 198.05365 144.6
[M]+ 177.07843 134.6
[M]- 177.07953 134.6
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

patents stripe