CID 22134208

(3-ethylcyclopentyl)methanol

Structural Information

Molecular Formula
C8H16O
SMILES
CCC1CCC(C1)CO
InChI
InChI=1S/C8H16O/c1-2-7-3-4-8(5-7)6-9/h7-9H,2-6H2,1H3
InChIKey
OOXRLWVWALNZKU-UHFFFAOYSA-N
Compound name
(3-ethylcyclopentyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 129.5
[M+Na]+ 151.10934 135.6
[M-H]- 127.11284 131.3
[M+NH4]+ 146.15394 152.8
[M+K]+ 167.08328 134.2
[M+H-H2O]+ 111.11738 124.8
[M+HCOO]- 173.11832 150.8
[M+CH3COO]- 187.13397 169.7
[M+Na-2H]- 149.09479 132.7
[M]+ 128.11957 126.7
[M]- 128.12067 126.7
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