CID 111400

Einecs 272-582-6

Structural Information

Molecular Formula
C14H22O2
SMILES
CC1=CCC2C(C1C3(OCCO3)C)C2(C)C
InChI
InChI=1S/C14H22O2/c1-9-5-6-10-12(13(10,2)3)11(9)14(4)15-7-8-16-14/h5,10-12H,6-8H2,1-4H3
InChIKey
XKYYKRRWLSWDPX-UHFFFAOYSA-N
Compound name
2-methyl-2-(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.16199 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.169266 148.2
[M+Na]+ 245.151208 158.3
[M-H]- 221.154714 158.0
[M+NH4]+ 240.195813 166.3
[M+K]+ 261.125148 159.0
[M+H-H2O]+ 205.159250 144.2
[M+HCOO]- 267.160191 165.0
[M+CH3COO]- 281.175841 161.8
[M+Na-2H]- 243.136656 154.0
[M]+ 222.16144142 152.6
[M]- 222.16253858 152.6
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

No patent data available for this compound.