CID 66652503

1-cyclopropylbut-3-en-2-one

Structural Information

Molecular Formula
C7H10O
SMILES
C=CC(=O)CC1CC1
InChI
InChI=1S/C7H10O/c1-2-7(8)5-6-3-4-6/h2,6H,1,3-5H2
InChIKey
HQLSVZFENKJQEZ-UHFFFAOYSA-N
Compound name
1-cyclopropylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

110.073166 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 122.4
[M+Na]+ 133.06238 131.5
[M-H]- 109.06589 127.2
[M+NH4]+ 128.10699 140.4
[M+K]+ 149.03632 129.6
[M+H-H2O]+ 93.070426 116.9
[M+HCOO]- 155.07137 145.9
[M+CH3COO]- 169.08702 173.5
[M+Na-2H]- 131.04783 128.5
[M]+ 110.07262 124.6
[M]- 110.07371 124.6
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