CID 15556138

2-(4-propoxyphenyl)acetonitrile

Structural Information

Molecular Formula
C11H13NO
SMILES
CCCOC1=CC=C(C=C1)CC#N
InChI
InChI=1S/C11H13NO/c1-2-9-13-11-5-3-10(4-6-11)7-8-12/h3-6H,2,7,9H2,1H3
InChIKey
GHTRHWRFHUGGOI-UHFFFAOYSA-N
Compound name
2-(4-propoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

175.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 137.3
[M+Na]+ 198.088938 147.1
[M-H]- 174.092444 140.6
[M+NH4]+ 193.133543 155.8
[M+K]+ 214.062878 144.0
[M+H-H2O]+ 158.096980 125.1
[M+HCOO]- 220.097921 158.0
[M+CH3COO]- 234.113571 194.0
[M+Na-2H]- 196.074386 143.5
[M]+ 175.09917142 134.6
[M]- 175.10026858 134.6
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

patents stripe