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]+ 111.080442 122.4
[M+Na]+ 133.062384 131.5
[M-H]- 109.065890 127.2
[M+NH4]+ 128.106989 140.4
[M+K]+ 149.036324 129.6
[M+H-H2O]+ 93.070426 116.9
[M+HCOO]- 155.071367 145.9
[M+CH3COO]- 169.087017 173.5
[M+Na-2H]- 131.047832 128.5
[M]+ 110.07261742 124.6
[M]- 110.07371458 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