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

449
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 122.8
[M+Na]+ 135.07803 131.5
[M-H]- 111.08153 127.7
[M+NH4]+ 130.12263 140.8
[M+K]+ 151.05197 130.5
[M+H-H2O]+ 95.086070 117.4
[M+HCOO]- 157.08701 145.3
[M+CH3COO]- 171.10266 175.2
[M+Na-2H]- 133.06348 127.8
[M]+ 112.08826 125.2
[M]- 112.08936 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