CID 72942805

2-(4-formylphenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C11H11NO
SMILES
CC(C)(C#N)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H11NO/c1-11(2,8-12)10-5-3-9(7-13)4-6-10/h3-7H,1-2H3
InChIKey
UNFSWHAXPWPHPR-UHFFFAOYSA-N
Compound name
2-(4-formylphenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

173.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 140.8
[M+Na]+ 196.073278 151.1
[M-H]- 172.076784 144.5
[M+NH4]+ 191.117883 159.4
[M+K]+ 212.047218 148.0
[M+H-H2O]+ 156.081320 129.1
[M+HCOO]- 218.082261 160.1
[M+CH3COO]- 232.097911 193.4
[M+Na-2H]- 194.058726 147.1
[M]+ 173.08351142 136.9
[M]- 173.08460858 136.9
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