CID 138539

Cyclopentyl methyl ether

Structural Information

Molecular Formula
C6H12O
SMILES
COC1CCCC1
InChI
InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKey
SKTCDJAMAYNROS-UHFFFAOYSA-N
Compound name
methoxycyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

37890
Patents

100.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.1
[M+Na]+ 123.07803 126.6
[M-H]- 99.081534 123.3
[M+NH4]+ 118.12263 145.0
[M+K]+ 139.05197 126.7
[M+H-H2O]+ 83.086070 115.3
[M+HCOO]- 145.08701 143.6
[M+CH3COO]- 159.10266 165.3
[M+Na-2H]- 121.06348 125.6
[M]+ 100.08826 118.1
[M]- 100.08936 118.1
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