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
2
Annotation Hits

0
References

27
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 150.7
[M+Na]+ 245.18758 157.9
[M-H]- 221.19108 154.9
[M+NH4]+ 240.23218 174.9
[M+K]+ 261.16152 155.3
[M+H-H2O]+ 205.19562 146.4
[M+HCOO]- 267.19656 166.2
[M+CH3COO]- 281.21221 193.8
[M+Na-2H]- 243.17303 153.8
[M]+ 222.19781 147.3
[M]- 222.19891 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