CID 57721978

Ec 415-460-1

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1(CCC2(C3C14CCC(C4)C3(C)C)OCCO2)C
InChI
InChI=1S/C17H28O2/c1-14(2)7-8-17(18-9-10-19-17)13-15(3,4)12-5-6-16(13,14)11-12/h12-13H,5-11H2,1-4H3
InChIKey
RTPMDRYHLHGFGT-UHFFFAOYSA-N
Compound name
2',2',8',8'-tetramethylspiro[1,3-dioxolane-2,10'-octahydro-1H-2,4a-methanonapthalene]
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

162
Patents

264.20892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 161.4
[M+Na]+ 287.19814 169.2
[M-H]- 263.20164 168.7
[M+NH4]+ 282.24274 190.7
[M+K]+ 303.17208 166.8
[M+H-H2O]+ 247.20618 158.5
[M+HCOO]- 309.20712 174.8
[M+CH3COO]- 323.22277 173.7
[M+Na-2H]- 285.18359 164.2
[M]+ 264.20837 160.3
[M]- 264.20947 160.3
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

patents stripe