CID 66875026

1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C10H9NO
SMILES
C1CC1(C#N)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H9NO/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6,12H,4-5H2
InChIKey
FTTRSXMWGQCQQS-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 131.5
[M+Na]+ 182.057638 148.1
[M-H]- 158.061144 139.6
[M+NH4]+ 177.102243 149.0
[M+K]+ 198.031578 141.1
[M+H-H2O]+ 142.065680 123.0
[M+HCOO]- 204.066621 153.1
[M+CH3COO]- 218.082271 190.1
[M+Na-2H]- 180.043086 140.8
[M]+ 159.06787142 130.2
[M]- 159.06896858 130.2
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