CID 44149475

93777-39-0

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1CC2(CC3CC2C4C3CCC4)OC1=O
InChI
InChI=1S/C14H20O2/c1-8-6-14(16-13(8)15)7-9-5-12(14)11-4-2-3-10(9)11/h8-12H,2-7H2,1H3
InChIKey
ICZMJALAXFOIJH-UHFFFAOYSA-N
Compound name
3-methylspiro[oxolane-5,8'-tricyclo[5.2.1.02,6]decane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 155.8
[M+Na]+ 243.135548 163.5
[M-H]- 219.139054 162.6
[M+NH4]+ 238.180153 184.6
[M+K]+ 259.109488 160.8
[M+H-H2O]+ 203.143590 154.2
[M+HCOO]- 265.144531 173.3
[M+CH3COO]- 279.160181 168.8
[M+Na-2H]- 241.120996 154.3
[M]+ 220.14578142 153.9
[M]- 220.14687858 153.9
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.