CID 20111

4-butoxybutan-1-ol

Structural Information

Molecular Formula
C8H18O2
SMILES
CCCCOCCCCO
InChI
InChI=1S/C8H18O2/c1-2-3-7-10-8-5-4-6-9/h9H,2-8H2,1H3
InChIKey
OBXQRJAQMQQZMY-UHFFFAOYSA-N
Compound name
4-butoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3432
Patents

146.13068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.137956 134.7
[M+Na]+ 169.119898 140.7
[M-H]- 145.123404 133.2
[M+NH4]+ 164.164503 155.7
[M+K]+ 185.093838 140.0
[M+H-H2O]+ 129.127940 130.0
[M+HCOO]- 191.128881 156.9
[M+CH3COO]- 205.144531 174.5
[M+Na-2H]- 167.105346 140.3
[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

literature stripe

Patent stripe

patents stripe