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

13
Patents

191.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.4
[M+Na]+ 214.08386 150.5
[M-H]- 190.08736 144.1
[M+NH4]+ 209.12846 158.4
[M+K]+ 230.05780 148.6
[M+H-H2O]+ 174.09190 128.2
[M+HCOO]- 236.09284 160.3
[M+CH3COO]- 250.10849 197.5
[M+Na-2H]- 212.06931 144.8
[M]+ 191.09409 138.6
[M]- 191.09519 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