CID 68029474

(1-methoxycyclopentyl)methanol

Structural Information

Molecular Formula
C7H14O2
SMILES
COC1(CCCC1)CO
InChI
InChI=1S/C7H14O2/c1-9-7(6-8)4-2-3-5-7/h8H,2-6H2,1H3
InChIKey
CSAKQFWACRXURU-UHFFFAOYSA-N
Compound name
(1-methoxycyclopentyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

130.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 127.9
[M+Na]+ 153.088598 134.4
[M-H]- 129.092104 129.9
[M+NH4]+ 148.133203 152.8
[M+K]+ 169.062538 133.9
[M+H-H2O]+ 113.096640 123.9
[M+HCOO]- 175.097581 149.8
[M+CH3COO]- 189.113231 167.1
[M+Na-2H]- 151.074046 133.6
[M]+ 130.09883142 126.1
[M]- 130.09992858 126.1
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