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]+ 176.10700 139.3
[M+Na]+ 198.08894 148.0
[M-H]- 174.09244 142.3
[M+NH4]+ 193.13354 157.4
[M+K]+ 214.06288 145.2
[M+H-H2O]+ 158.09698 126.8
[M+HCOO]- 220.09792 159.0
[M+CH3COO]- 234.11357 193.7
[M+Na-2H]- 196.07439 144.9
[M]+ 175.09917 135.6
[M]- 175.10027 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.