CID 21670669

1,1-dimethoxy-2-methylcyclopentane

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1CCCC1(OC)OC
InChI
InChI=1S/C8H16O2/c1-7-5-4-6-8(7,9-2)10-3/h7H,4-6H2,1-3H3
InChIKey
MGPXYHNVLGYESX-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-2-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

144.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 130.3
[M+Na]+ 167.104258 137.8
[M-H]- 143.107764 134.0
[M+NH4]+ 162.148863 155.8
[M+K]+ 183.078198 138.0
[M+H-H2O]+ 127.112300 126.3
[M+HCOO]- 189.113241 153.5
[M+CH3COO]- 203.128891 173.9
[M+Na-2H]- 165.089706 135.5
[M]+ 144.11449142 131.2
[M]- 144.11558858 131.2
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