CID 20270668

1-cyclopropylbutan-2-one

Structural Information

Molecular Formula
C7H12O
SMILES
CCC(=O)CC1CC1
InChI
InChI=1S/C7H12O/c1-2-7(8)5-6-3-4-6/h6H,2-5H2,1H3
InChIKey
CWBXRPMPOBUVMH-UHFFFAOYSA-N
Compound name
1-cyclopropylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

112.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 123.5
[M+Na]+ 135.07803 132.3
[M-H]- 111.08153 128.3
[M+NH4]+ 130.12263 141.5
[M+K]+ 151.05197 131.0
[M+H-H2O]+ 95.086070 117.9
[M+HCOO]- 157.08701 146.8
[M+CH3COO]- 171.10266 174.4
[M+Na-2H]- 133.06348 129.5
[M]+ 112.08826 126.4
[M]- 112.08936 126.4
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