CID 10534986

2-(2-methoxyphenyl)propanenitrile

Structural Information

Molecular Formula
C10H11NO
SMILES
CC(C#N)C1=CC=CC=C1OC
InChI
InChI=1S/C10H11NO/c1-8(7-11)9-5-3-4-6-10(9)12-2/h3-6,8H,1-2H3
InChIKey
IHBPMWBJAWZDBI-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

161.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 134.6
[M+Na]+ 184.073278 144.5
[M-H]- 160.076784 138.1
[M+NH4]+ 179.117883 153.5
[M+K]+ 200.047218 142.1
[M+H-H2O]+ 144.081320 122.6
[M+HCOO]- 206.082261 154.6
[M+CH3COO]- 220.097911 192.0
[M+Na-2H]- 182.058726 140.1
[M]+ 161.08351142 130.9
[M]- 161.08460858 130.9
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