CID 19094436

2-phenoxypropanenitrile

Structural Information

Molecular Formula
C9H9NO
SMILES
CC(C#N)OC1=CC=CC=C1
InChI
InChI=1S/C9H9NO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey
MBVIMYRMRHPFKN-UHFFFAOYSA-N
Compound name
2-phenoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

147.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 131.2
[M+Na]+ 170.05764 140.7
[M-H]- 146.06114 134.5
[M+NH4]+ 165.10224 150.3
[M+K]+ 186.03158 138.3
[M+H-H2O]+ 130.06568 119.1
[M+HCOO]- 192.06662 151.5
[M+CH3COO]- 206.08227 188.3
[M+Na-2H]- 168.04309 137.8
[M]+ 147.06787 126.8
[M]- 147.06897 126.8
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