CID 41674

55956-25-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

528
Patents

174.1256 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 141.6
[M+Na]+ 197.11482 147.0
[M-H]- 173.11832 140.0
[M+NH4]+ 192.15942 161.2
[M+K]+ 213.08876 146.8
[M+H-H2O]+ 157.12286 136.7
[M+HCOO]- 219.12380 161.8
[M+CH3COO]- 233.13945 180.3
[M+Na-2H]- 195.10027 144.0
[M]+ 174.12505 144.5
[M]- 174.12615 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

literature stripe

Patent stripe

patents stripe