CID 54467051

(s)-4-(2-hydroxyethyl)-2,2-diisopropyl-1,3-dioxolane

Structural Information

Molecular Formula
C11H22O3
SMILES
CC(C)C1(OC[C@@H](O1)CCO)C(C)C
InChI
InChI=1S/C11H22O3/c1-8(2)11(9(3)4)13-7-10(14-11)5-6-12/h8-10,12H,5-7H2,1-4H3/t10-/m0/s1
InChIKey
XFPZNMFFBDUEGH-JTQLQIEISA-N
Compound name
2-[(4S)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

202.15689 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 148.7
[M+Na]+ 225.14611 154.0
[M-H]- 201.14961 151.7
[M+NH4]+ 220.19071 168.3
[M+K]+ 241.12005 155.6
[M+H-H2O]+ 185.15415 144.8
[M+HCOO]- 247.15509 165.6
[M+CH3COO]- 261.17074 184.2
[M+Na-2H]- 223.13156 151.3
[M]+ 202.15634 150.2
[M]- 202.15744 150.2
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