CID 23455785

1-[1-(propan-2-yl)cyclopropyl]ethan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C)C1(CC1)C(=O)C
InChI
InChI=1S/C8H14O/c1-6(2)8(4-5-8)7(3)9/h6H,4-5H2,1-3H3
InChIKey
KVMBMUGSLSHYOA-UHFFFAOYSA-N
Compound name
1-(1-propan-2-ylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

126.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 127.3
[M+Na]+ 149.09368 136.1
[M-H]- 125.09718 132.3
[M+NH4]+ 144.13828 146.6
[M+K]+ 165.06762 135.9
[M+H-H2O]+ 109.10172 123.1
[M+HCOO]- 171.10266 149.0
[M+CH3COO]- 185.11831 177.6
[M+Na-2H]- 147.07913 132.7
[M]+ 126.10391 130.4
[M]- 126.10501 130.4
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