CID 61054871

1184558-92-6

Structural Information

Molecular Formula
C13H16O3
SMILES
COC1=C(C=C(C=C1)CC(=O)C2CC2)OC
InChI
InChI=1S/C13H16O3/c1-15-12-6-3-9(8-13(12)16-2)7-11(14)10-4-5-10/h3,6,8,10H,4-5,7H2,1-2H3
InChIKey
JPLFOUVBPIWOAA-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-(3,4-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

220.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 147.3
[M+Na]+ 243.099158 156.6
[M-H]- 219.102664 155.1
[M+NH4]+ 238.143763 161.2
[M+K]+ 259.073098 154.1
[M+H-H2O]+ 203.107200 140.5
[M+HCOO]- 265.108141 170.8
[M+CH3COO]- 279.123791 193.1
[M+Na-2H]- 241.084606 151.4
[M]+ 220.10939142 153.5
[M]- 220.11048858 153.5
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