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

11
Patents

202.15689 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.164166 148.7
[M+Na]+ 225.146108 154.0
[M-H]- 201.149614 151.7
[M+NH4]+ 220.190713 168.3
[M+K]+ 241.120048 155.6
[M+H-H2O]+ 185.154150 144.8
[M+HCOO]- 247.155091 165.6
[M+CH3COO]- 261.170741 184.2
[M+Na-2H]- 223.131556 151.3
[M]+ 202.15634142 150.2
[M]- 202.15743858 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