CID 12870153

1-cyclopropyl-2-methylprop-2-en-1-one

Structural Information

Molecular Formula
C7H10O
SMILES
CC(=C)C(=O)C1CC1
InChI
InChI=1S/C7H10O/c1-5(2)7(8)6-3-4-6/h6H,1,3-4H2,2H3
InChIKey
SITFVXSQXDOJEO-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

110.073166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 121.7
[M+Na]+ 133.06238 130.6
[M-H]- 109.06589 126.6
[M+NH4]+ 128.10699 139.6
[M+K]+ 149.03632 129.1
[M+H-H2O]+ 93.070426 116.3
[M+HCOO]- 155.07137 144.3
[M+CH3COO]- 169.08702 174.2
[M+Na-2H]- 131.04783 126.6
[M]+ 110.07262 123.3
[M]- 110.07371 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe