CID 12654270

1-cyclopropyl-2-methylpropan-1-one

Structural Information

Molecular Formula
C7H12O
SMILES
CC(C)C(=O)C1CC1
InChI
InChI=1S/C7H12O/c1-5(2)7(8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKey
CKABARUORCUAGG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

458
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 122.8
[M+Na]+ 135.078028 131.5
[M-H]- 111.081534 127.7
[M+NH4]+ 130.122633 140.8
[M+K]+ 151.051968 130.5
[M+H-H2O]+ 95.086070 117.4
[M+HCOO]- 157.087011 145.3
[M+CH3COO]- 171.102661 175.2
[M+Na-2H]- 133.063476 127.8
[M]+ 112.08826142 125.2
[M]- 112.08935858 125.2
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