CID 67374463

1-cyclopropyl-3,3-dimethoxypropan-1-one

Structural Information

Molecular Formula
C8H14O3
SMILES
COC(CC(=O)C1CC1)OC
InChI
InChI=1S/C8H14O3/c1-10-8(11-2)5-7(9)6-3-4-6/h6,8H,3-5H2,1-2H3
InChIKey
MNTXUVYCOHHXEY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3,3-dimethoxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

158.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.7
[M+Na]+ 181.083518 142.9
[M-H]- 157.087024 139.3
[M+NH4]+ 176.128123 150.8
[M+K]+ 197.057458 142.2
[M+H-H2O]+ 141.091560 128.8
[M+HCOO]- 203.092501 157.2
[M+CH3COO]- 217.108151 181.8
[M+Na-2H]- 179.068966 138.9
[M]+ 158.09375142 140.3
[M]- 158.09484858 140.3
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