CID 92002

5-but-2-en-2-yl-2,2-dimethyloxolane

Structural Information

Molecular Formula
C10H18O
SMILES
CC=C(C)C1CCC(O1)(C)C
InChI
InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3
InChIKey
LPEYLSKLVYWOEQ-UHFFFAOYSA-N
Compound name
5-but-2-en-2-yl-2,2-dimethyloxolane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

258
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 134.9
[M+Na]+ 177.12499 141.8
[M-H]- 153.12849 139.0
[M+NH4]+ 172.16959 158.7
[M+K]+ 193.09893 141.7
[M+H-H2O]+ 137.13303 131.1
[M+HCOO]- 199.13397 155.4
[M+CH3COO]- 213.14962 177.2
[M+Na-2H]- 175.11044 138.7
[M]+ 154.13522 134.2
[M]- 154.13632 134.2
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