CID 21225521

(2s)-2-butoxybutan-1-ol

Structural Information

Molecular Formula
C8H18O2
SMILES
CCCCOC(CC)CO
InChI
InChI=1S/C8H18O2/c1-3-5-6-10-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKey
BJZYYSAMLOBSDY-UHFFFAOYSA-N
Compound name
2-butoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29
References

13453
Patents

146.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.137956 135.4
[M+Na]+ 169.119898 141.1
[M-H]- 145.123404 133.9
[M+NH4]+ 164.164503 156.3
[M+K]+ 185.093838 140.9
[M+H-H2O]+ 129.127940 130.7
[M+HCOO]- 191.128881 156.5
[M+CH3COO]- 205.144531 175.3
[M+Na-2H]- 167.105346 139.6
[M]+ 146.13013142 137.8
[M]- 146.13122858 137.8
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

No patent data available for this compound.