CID 136726

1-(2-methylcyclopropyl)ethan-1-one

Structural Information

Molecular Formula
C6H10O
SMILES
CC1CC1C(=O)C
InChI
InChI=1S/C6H10O/c1-4-3-6(4)5(2)7/h4,6H,3H2,1-2H3
InChIKey
CSEAGYCTZLEZON-UHFFFAOYSA-N
Compound name
1-(2-methylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

98.073166 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 118.1
[M+Na]+ 121.06238 128.2
[M-H]- 97.065890 123.4
[M+NH4]+ 116.10699 136.9
[M+K]+ 137.03632 127.1
[M+H-H2O]+ 81.070426 113.0
[M+HCOO]- 143.07137 141.7
[M+CH3COO]- 157.08702 172.5
[M+Na-2H]- 119.04783 124.1
[M]+ 98.072617 121.0
[M]- 98.073715 121.0
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