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

17
Patents

173.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 134.9
[M+Na]+ 196.07328 143.9
[M-H]- 172.07678 140.1
[M+NH4]+ 191.11788 148.7
[M+K]+ 212.04722 143.2
[M+H-H2O]+ 156.08132 119.4
[M+HCOO]- 218.08226 152.8
[M+CH3COO]- 232.09791 192.4
[M+Na-2H]- 194.05873 141.4
[M]+ 173.08351 136.2
[M]- 173.08461 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