CID 67374463

777091-47-1

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

18
Patents

158.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.7
[M+Na]+ 181.08352 142.9
[M-H]- 157.08702 139.3
[M+NH4]+ 176.12812 150.8
[M+K]+ 197.05746 142.2
[M+H-H2O]+ 141.09156 128.8
[M+HCOO]- 203.09250 157.2
[M+CH3COO]- 217.10815 181.8
[M+Na-2H]- 179.06897 138.9
[M]+ 158.09375 140.3
[M]- 158.09485 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