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

74
Patents

112.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 123.5
[M+Na]+ 135.078028 132.3
[M-H]- 111.081534 128.3
[M+NH4]+ 130.122633 141.5
[M+K]+ 151.051968 131.0
[M+H-H2O]+ 95.086070 117.9
[M+HCOO]- 157.087011 146.8
[M+CH3COO]- 171.102661 174.4
[M+Na-2H]- 133.063476 129.5
[M]+ 112.08826142 126.4
[M]- 112.08935858 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