CID 98267

1-propylcyclopentanol

Structural Information

Molecular Formula
C8H16O
SMILES
CCCC1(CCCC1)O
InChI
InChI=1S/C8H16O/c1-2-5-8(9)6-3-4-7-8/h9H,2-7H2,1H3
InChIKey
GJEILRJIINEWJO-UHFFFAOYSA-N
Compound name
1-propylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

265
Patents

128.12012 Da
Monoisotopic Mass

1.9
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 154.5
[M+K]+ 167.08328 134.4
[M+H-H2O]+ 111.11738 125.4
[M+HCOO]- 173.11832 150.8
[M+CH3COO]- 187.13397 168.2
[M+Na-2H]- 149.09479 134.5
[M]+ 128.11957 126.6
[M]- 128.12067 126.6
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