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

9
Patents

175.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.3
[M+Na]+ 198.08894 147.1
[M-H]- 174.09244 140.6
[M+NH4]+ 193.13354 155.8
[M+K]+ 214.06288 144.0
[M+H-H2O]+ 158.09698 125.1
[M+HCOO]- 220.09792 158.0
[M+CH3COO]- 234.11357 194.0
[M+Na-2H]- 196.07439 143.5
[M]+ 175.09917 134.6
[M]- 175.10027 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