CID 117047373

1-(4-hydroxyphenyl)cyclopropane-1-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 131.5
[M+Na]+ 182.05764 148.1
[M-H]- 158.06114 139.6
[M+NH4]+ 177.10224 149.0
[M+K]+ 198.03158 141.1
[M+H-H2O]+ 142.06568 123.0
[M+HCOO]- 204.06662 153.1
[M+CH3COO]- 218.08227 190.1
[M+Na-2H]- 180.04309 140.8
[M]+ 159.06787 130.2
[M]- 159.06897 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