CID 131237685

1-cyclopropyl-3-methoxyprop-2-en-1-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CO/C=C/C(=O)C1CC1
InChI
InChI=1S/C7H10O2/c1-9-5-4-7(8)6-2-3-6/h4-6H,2-3H2,1H3/b5-4+
InChIKey
ZHEINZLSXHLOFG-SNAWJCMRSA-N
Compound name
(E)-1-cyclopropyl-3-methoxyprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

126.06808 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 126.4
[M+Na]+ 149.057298 135.6
[M-H]- 125.060804 131.2
[M+NH4]+ 144.101903 143.8
[M+K]+ 165.031238 134.0
[M+H-H2O]+ 109.065340 120.8
[M+HCOO]- 171.066281 150.1
[M+CH3COO]- 185.081931 174.7
[M+Na-2H]- 147.042746 132.4
[M]+ 126.06753142 130.0
[M]- 126.06862858 130.0
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