CID 219166

2-(4-methoxyphenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(C)(C#N)C1=CC=C(C=C1)OC
InChI
InChI=1S/C11H13NO/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-7H,1-3H3
InChIKey
CDCRUVGWQJYTFO-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

175.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 140.9
[M+Na]+ 198.08894 150.9
[M-H]- 174.09244 144.5
[M+NH4]+ 193.13354 159.5
[M+K]+ 214.06288 148.4
[M+H-H2O]+ 158.09698 129.2
[M+HCOO]- 220.09792 160.1
[M+CH3COO]- 234.11357 194.3
[M+Na-2H]- 196.07439 147.3
[M]+ 175.09917 137.6
[M]- 175.10027 137.6
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