CID 12670638

15839-44-8

Structural Information

Molecular Formula
C8H14O3
SMILES
COC(C1CCCC1=O)OC
InChI
InChI=1S/C8H14O3/c1-10-8(11-2)6-4-3-5-7(6)9/h6,8H,3-5H2,1-2H3
InChIKey
BMUJLDCMIRTFHP-UHFFFAOYSA-N
Compound name
2-(dimethoxymethyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 133.6
[M+Na]+ 181.083518 140.1
[M-H]- 157.087024 136.9
[M+NH4]+ 176.128123 156.2
[M+K]+ 197.057458 140.5
[M+H-H2O]+ 141.091560 128.6
[M+HCOO]- 203.092501 156.1
[M+CH3COO]- 217.108151 176.3
[M+Na-2H]- 179.068966 136.2
[M]+ 158.09375142 134.3
[M]- 158.09484858 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.