CID 3015813

Propanol, 1(or 2)-(2-butoxymethylethoxy)-

Structural Information

Molecular Formula
C10H22O3
SMILES
CCCCOCCCOC(CC)O
InChI
InChI=1S/C10H22O3/c1-3-5-7-12-8-6-9-13-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKey
LNFLHXZJCVGTSO-UHFFFAOYSA-N
Compound name
1-(3-butoxypropoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1033
Patents

190.15689 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.16417 147.4
[M+Na]+ 213.14611 152.3
[M-H]- 189.14961 145.6
[M+NH4]+ 208.19071 166.5
[M+K]+ 229.12005 152.0
[M+H-H2O]+ 173.15415 142.1
[M+HCOO]- 235.15509 168.1
[M+CH3COO]- 249.17074 183.3
[M+Na-2H]- 211.13156 150.6
[M]+ 190.15634 152.1
[M]- 190.15744 152.1
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