CID 17835970

218797-78-5

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(C)(C)OC1=CC=CC=C1C#N
InChI
InChI=1S/C11H13NO/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-7H,1-3H3
InChIKey
SLIMDAGKDWKYHH-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

175.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 141.2
[M+Na]+ 198.088938 151.3
[M-H]- 174.092444 144.9
[M+NH4]+ 193.133543 159.9
[M+K]+ 214.062878 148.8
[M+H-H2O]+ 158.096980 129.5
[M+HCOO]- 220.097921 160.4
[M+CH3COO]- 234.113571 193.7
[M+Na-2H]- 196.074386 147.6
[M]+ 175.09917142 137.9
[M]- 175.10026858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe