CID 81580

Cyclopropyl(4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1=CC=C(C=C1)C(=O)C2CC2
InChI
InChI=1S/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3
InChIKey
YKZSVEVTRUSPOQ-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

112
Patents

176.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 135.5
[M+Na]+ 199.072938 144.8
[M-H]- 175.076444 143.3
[M+NH4]+ 194.117543 150.9
[M+K]+ 215.046878 142.5
[M+H-H2O]+ 159.080980 129.0
[M+HCOO]- 221.081921 159.6
[M+CH3COO]- 235.097571 184.3
[M+Na-2H]- 197.058386 141.3
[M]+ 176.08317142 139.1
[M]- 176.08426858 139.1
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