CID 2125297

3-methoxy-4-(propan-2-yloxy)benzonitrile

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(C)OC1=C(C=C(C=C1)C#N)OC
InChI
InChI=1S/C11H13NO2/c1-8(2)14-10-5-4-9(7-12)6-11(10)13-3/h4-6,8H,1-3H3
InChIKey
CMXCYYYLNXSFAL-UHFFFAOYSA-N
Compound name
3-methoxy-4-propan-2-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

191.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.4
[M+Na]+ 214.083858 150.5
[M-H]- 190.087364 144.1
[M+NH4]+ 209.128463 158.4
[M+K]+ 230.057798 148.6
[M+H-H2O]+ 174.091900 128.2
[M+HCOO]- 236.092841 160.3
[M+CH3COO]- 250.108491 197.5
[M+Na-2H]- 212.069306 144.8
[M]+ 191.09409142 138.6
[M]- 191.09518858 138.6
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