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

10
Patents

126.06808 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 126.4
[M+Na]+ 149.05730 135.6
[M-H]- 125.06080 131.2
[M+NH4]+ 144.10190 143.8
[M+K]+ 165.03124 134.0
[M+H-H2O]+ 109.06534 120.8
[M+HCOO]- 171.06628 150.1
[M+CH3COO]- 185.08193 174.7
[M+Na-2H]- 147.04275 132.4
[M]+ 126.06753 130.0
[M]- 126.06863 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