CID 78137

2,2-diisopropyl-1,3-dioxolane

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(C)C1(OCCO1)C(C)C
InChI
InChI=1S/C9H18O2/c1-7(2)9(8(3)4)10-5-6-11-9/h7-8H,5-6H2,1-4H3
InChIKey
BIYJJEWTEPSHGZ-UHFFFAOYSA-N
Compound name
2,2-di(propan-2-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

158.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 136.3
[M+Na]+ 181.11990 142.1
[M-H]- 157.12340 140.8
[M+NH4]+ 176.16450 158.2
[M+K]+ 197.09384 144.7
[M+H-H2O]+ 141.12794 132.5
[M+HCOO]- 203.12888 155.2
[M+CH3COO]- 217.14453 177.6
[M+Na-2H]- 179.10535 141.0
[M]+ 158.13013 137.1
[M]- 158.13123 137.1
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