CID 28491048

3-[(4-methoxyphenyl)methoxy]propanenitrile

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC1=CC=C(C=C1)COCCC#N
InChI
InChI=1S/C11H13NO2/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h3-6H,2,8-9H2,1H3
InChIKey
UTGYCIADJUQLBZ-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.7
[M+Na]+ 214.08386 149.3
[M-H]- 190.08736 142.9
[M+NH4]+ 209.12846 157.5
[M+K]+ 230.05780 146.8
[M+H-H2O]+ 174.09190 127.2
[M+HCOO]- 236.09284 160.5
[M+CH3COO]- 250.10849 195.8
[M+Na-2H]- 212.06931 145.9
[M]+ 191.09409 138.2
[M]- 191.09519 138.2
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.