CID 99012

68856-21-3

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CC2C(CC1=O)C(CCC2(C)C)(C)C
InChI
InChI=1S/C15H26O/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h10-12H,6-9H2,1-5H3
InChIKey
HAPDRSVNEVCRKW-UHFFFAOYSA-N
Compound name
3,5,5,8,8-pentamethyl-3,4,4a,6,7,8a-hexahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 150.7
[M+Na]+ 245.187578 157.9
[M-H]- 221.191084 154.9
[M+NH4]+ 240.232183 174.9
[M+K]+ 261.161518 155.3
[M+H-H2O]+ 205.195620 146.4
[M+HCOO]- 267.196561 166.2
[M+CH3COO]- 281.212211 193.8
[M+Na-2H]- 243.173026 153.8
[M]+ 222.19781142 147.3
[M]- 222.19890858 147.3
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