CID 44150739

94030-85-0

Structural Information

Molecular Formula
C14H22O3
SMILES
CCOC(=O)C1C2(O1)CC3(CC3C2C)C(C)C
InChI
InChI=1S/C14H22O3/c1-5-16-12(15)11-14(17-11)7-13(8(2)3)6-10(13)9(14)4/h8-11H,5-7H2,1-4H3
InChIKey
WWOIOOMYUBAKDI-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-1-propan-2-ylspiro[bicyclo[3.1.0]hexane-3,3'-oxirane]-2'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.15689 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.164166 163.5
[M+Na]+ 261.146108 171.6
[M-H]- 237.149614 171.0
[M+NH4]+ 256.190713 175.2
[M+K]+ 277.120048 172.3
[M+H-H2O]+ 221.154150 160.9
[M+HCOO]- 283.155091 176.9
[M+CH3COO]- 297.170741 204.4
[M+Na-2H]- 259.131556 165.2
[M]+ 238.15634142 171.6
[M]- 238.15743858 171.6
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.