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]+ 131.10666 127.9
[M+Na]+ 153.08860 134.4
[M-H]- 129.09210 129.9
[M+NH4]+ 148.13320 152.8
[M+K]+ 169.06254 133.9
[M+H-H2O]+ 113.09664 123.9
[M+HCOO]- 175.09758 149.8
[M+CH3COO]- 189.11323 167.1
[M+Na-2H]- 151.07405 133.6
[M]+ 130.09883 126.1
[M]- 130.09993 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