CID 18786320

1-(3-hydroxyphenyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C11H11NO
SMILES
C1CC(C1)(C#N)C2=CC(=CC=C2)O
InChI
InChI=1S/C11H11NO/c12-8-11(5-2-6-11)9-3-1-4-10(13)7-9/h1,3-4,7,13H,2,5-6H2
InChIKey
MAHOXXDXOABQRA-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

173.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 134.9
[M+Na]+ 196.073278 143.9
[M-H]- 172.076784 140.1
[M+NH4]+ 191.117883 148.7
[M+K]+ 212.047218 143.2
[M+H-H2O]+ 156.081320 119.4
[M+HCOO]- 218.082261 152.8
[M+CH3COO]- 232.097911 192.4
[M+Na-2H]- 194.058726 141.4
[M]+ 173.08351142 136.2
[M]- 173.08460858 136.2
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