CID 28491043

4-[(4-methoxyphenyl)methoxy]butanenitrile

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC1=CC=C(C=C1)COCCCC#N
InChI
InChI=1S/C12H15NO2/c1-14-12-6-4-11(5-7-12)10-15-9-3-2-8-13/h4-7H,2-3,9-10H2,1H3
InChIKey
WROFRRSYFNNNDX-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methoxy]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 143.7
[M+Na]+ 228.099498 152.9
[M-H]- 204.103004 146.7
[M+NH4]+ 223.144103 161.0
[M+K]+ 244.073438 150.2
[M+H-H2O]+ 188.107540 131.0
[M+HCOO]- 250.108481 164.2
[M+CH3COO]- 264.124131 198.5
[M+Na-2H]- 226.084946 149.4
[M]+ 205.10973142 142.5
[M]- 205.11082858 142.5
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.