CID 85574

1-(4-methoxyphenyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C11H11NO
SMILES
COC1=CC=C(C=C1)C2(CC2)C#N
InChI
InChI=1S/C11H11NO/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-7H2,1H3
InChIKey
OIQRGAQXQLASRC-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

173.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 135.0
[M+Na]+ 196.07328 151.5
[M-H]- 172.07678 144.0
[M+NH4]+ 191.11788 152.6
[M+K]+ 212.04722 145.1
[M+H-H2O]+ 156.08132 125.9
[M+HCOO]- 218.08226 157.6
[M+CH3COO]- 232.09791 195.0
[M+Na-2H]- 194.05873 144.1
[M]+ 173.08351 135.5
[M]- 173.08461 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe