CID 31287

1-butoxyethoxy-2-propanol

Structural Information

Molecular Formula
C9H20O3
SMILES
CCCCOCCOCC(C)O
InChI
InChI=1S/C9H20O3/c1-3-4-5-11-6-7-12-8-9(2)10/h9-10H,3-8H2,1-2H3
InChIKey
NPMRPDRLIHYOBW-UHFFFAOYSA-N
Compound name
1-(2-butoxyethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2991
Patents

176.14125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.14853 142.8
[M+Na]+ 199.13047 148.1
[M-H]- 175.13397 141.1
[M+NH4]+ 194.17507 162.5
[M+K]+ 215.10441 148.1
[M+H-H2O]+ 159.13851 137.7
[M+HCOO]- 221.13945 163.9
[M+CH3COO]- 235.15510 180.3
[M+Na-2H]- 197.11592 146.5
[M]+ 176.14070 147.1
[M]- 176.14180 147.1
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