CID 13296436

5-(furan-2-yl)pentan-1-ol

Structural Information

Molecular Formula
C9H14O2
SMILES
C1=COC(=C1)CCCCCO
InChI
InChI=1S/C9H14O2/c10-7-3-1-2-5-9-6-4-8-11-9/h4,6,8,10H,1-3,5,7H2
InChIKey
IEGJGVGPTDJSEY-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.3
[M+Na]+ 177.08860 140.1
[M-H]- 153.09210 135.8
[M+NH4]+ 172.13320 154.1
[M+K]+ 193.06254 139.5
[M+H-H2O]+ 137.09664 128.1
[M+HCOO]- 199.09758 156.5
[M+CH3COO]- 213.11323 172.7
[M+Na-2H]- 175.07405 139.7
[M]+ 154.09883 135.4
[M]- 154.09993 135.4
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