CID 523052

1,1-dimethoxy-cyclopentane

Structural Information

Molecular Formula
C7H14O2
SMILES
COC1(CCCC1)OC
InChI
InChI=1S/C7H14O2/c1-8-7(9-2)5-3-4-6-7/h3-6H2,1-2H3
InChIKey
AGWFDZMDKNQQHG-UHFFFAOYSA-N
Compound name
1,1-dimethoxycyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

609
Patents

130.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.0
[M+Na]+ 153.08860 133.9
[M-H]- 129.09210 130.4
[M+NH4]+ 148.13320 152.7
[M+K]+ 169.06254 134.4
[M+H-H2O]+ 113.09664 122.8
[M+HCOO]- 175.09758 150.5
[M+CH3COO]- 189.11323 169.8
[M+Na-2H]- 151.07405 133.2
[M]+ 130.09883 127.1
[M]- 130.09993 127.1
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

patents stripe