CID 112464

2-propanol, 1-allyloxy-3-isopropoxy-

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)OCC(COCC=C)O
InChI
InChI=1S/C9H18O3/c1-4-5-11-6-9(10)7-12-8(2)3/h4,8-10H,1,5-7H2,2-3H3
InChIKey
PLMMQIFFXIVYQI-UHFFFAOYSA-N
Compound name
1-propan-2-yloxy-3-prop-2-enoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.1256 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 141.6
[M+Na]+ 197.114818 147.0
[M-H]- 173.118324 140.0
[M+NH4]+ 192.159423 161.2
[M+K]+ 213.088758 146.8
[M+H-H2O]+ 157.122860 136.7
[M+HCOO]- 219.123801 161.8
[M+CH3COO]- 233.139451 180.3
[M+Na-2H]- 195.100266 144.0
[M]+ 174.12505142 144.5
[M]- 174.12614858 144.5
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