CID 24692348

3-(1-phenylethoxy)propanenitrile

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(C1=CC=CC=C1)OCCC#N
InChI
InChI=1S/C11H13NO/c1-10(13-9-5-8-12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,9H2,1H3
InChIKey
QYJCIHIXJNJCAT-UHFFFAOYSA-N
Compound name
3-(1-phenylethoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 139.3
[M+Na]+ 198.088938 148.0
[M-H]- 174.092444 142.3
[M+NH4]+ 193.133543 157.4
[M+K]+ 214.062878 145.2
[M+H-H2O]+ 158.096980 126.8
[M+HCOO]- 220.097921 159.0
[M+CH3COO]- 234.113571 193.7
[M+Na-2H]- 196.074386 144.9
[M]+ 175.09917142 135.6
[M]- 175.10026858 135.6
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

No patent data available for this compound.