CID 22636915

3-methoxycyclopentan-1-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
COC1CCC(C1)O
InChI
InChI=1S/C6H12O2/c1-8-6-3-2-5(7)4-6/h5-7H,2-4H2,1H3
InChIKey
DYTJEQBUSOPLJD-UHFFFAOYSA-N
Compound name
3-methoxycyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

116.08373 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 123.1
[M+Na]+ 139.072948 130.1
[M-H]- 115.076454 125.3
[M+NH4]+ 134.117553 146.9
[M+K]+ 155.046888 129.7
[M+H-H2O]+ 99.080990 118.7
[M+HCOO]- 161.081931 145.4
[M+CH3COO]- 175.097581 165.6
[M+Na-2H]- 137.058396 127.5
[M]+ 116.08318142 121.1
[M]- 116.08427858 121.1
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