CID 107034

Einecs 268-064-4

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CC(=O)CC2C13CCC(C3)C2(C)C)C
InChI
InChI=1S/C15H24O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h10,12H,5-9H2,1-4H3
InChIKey
MWPBNGVYOHBVGM-UHFFFAOYSA-N
Compound name
2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalenone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.3
[M+Na]+ 243.17193 161.0
[M-H]- 219.17543 156.9
[M+NH4]+ 238.21653 182.8
[M+K]+ 259.14587 156.7
[M+H-H2O]+ 203.17997 149.0
[M+HCOO]- 265.18091 169.1
[M+CH3COO]- 279.19656 191.5
[M+Na-2H]- 241.15738 155.2
[M]+ 220.18216 150.8
[M]- 220.18326 150.8
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