CID 91121

1-(2-butoxypropoxy)propan-2-ol

Structural Information

Molecular Formula
C10H22O3
SMILES
CCCCOC(C)COCC(C)O
InChI
InChI=1S/C10H22O3/c1-4-5-6-13-10(3)8-12-7-9(2)11/h9-11H,4-8H2,1-3H3
InChIKey
RUYKSFADZRVSQT-UHFFFAOYSA-N
Compound name
1-(2-butoxypropoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

190.15689 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.16417 147.9
[M+Na]+ 213.14611 152.6
[M-H]- 189.14961 146.1
[M+NH4]+ 208.19071 166.9
[M+K]+ 229.12005 152.7
[M+H-H2O]+ 173.15415 142.7
[M+HCOO]- 235.15509 167.6
[M+CH3COO]- 249.17074 184.2
[M+Na-2H]- 211.13156 149.7
[M]+ 190.15634 151.9
[M]- 190.15744 151.9
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

patents stripe