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

13
Patents

220.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 147.3
[M+Na]+ 243.09916 156.6
[M-H]- 219.10266 155.1
[M+NH4]+ 238.14376 161.2
[M+K]+ 259.07310 154.1
[M+H-H2O]+ 203.10720 140.5
[M+HCOO]- 265.10814 170.8
[M+CH3COO]- 279.12379 193.1
[M+Na-2H]- 241.08461 151.4
[M]+ 220.10939 153.5
[M]- 220.11049 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