CID 3022735

2,2-bis(ethoxymethyl)butan-1-ol

Structural Information

Molecular Formula
C10H22O3
SMILES
CCC(CO)(COCC)COCC
InChI
InChI=1S/C10H22O3/c1-4-10(7-11,8-12-5-2)9-13-6-3/h11H,4-9H2,1-3H3
InChIKey
OJJGNIICITWWPL-UHFFFAOYSA-N
Compound name
2,2-bis(ethoxymethyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

190.15689 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.164166 147.0
[M+Na]+ 213.146108 152.6
[M-H]- 189.149614 145.4
[M+NH4]+ 208.190713 166.3
[M+K]+ 229.120048 152.2
[M+H-H2O]+ 173.154150 142.4
[M+HCOO]- 235.155091 167.2
[M+CH3COO]- 249.170741 182.9
[M+Na-2H]- 211.131556 152.2
[M]+ 190.15634142 151.9
[M]- 190.15743858 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