CID 199229

3853-21-2

Structural Information

Molecular Formula
C16H31NO
SMILES
CC1CCCC(C1)C(=O)CCC(C)(C)CN(C)C
InChI
InChI=1S/C16H31NO/c1-13-7-6-8-14(11-13)15(18)9-10-16(2,3)12-17(4)5/h13-14H,6-12H2,1-5H3
InChIKey
FKMOUOGGXWFBEP-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-4,4-dimethyl-1-(3-methylcyclohexyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.24057 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.24785 165.5
[M+Na]+ 276.22979 167.6
[M-H]- 252.23329 168.9
[M+NH4]+ 271.27439 183.0
[M+K]+ 292.20373 166.9
[M+H-H2O]+ 236.23783 159.2
[M+HCOO]- 298.23877 182.8
[M+CH3COO]- 312.25442 205.5
[M+Na-2H]- 274.21524 165.5
[M]+ 253.24002 164.3
[M]- 253.24112 164.3
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

No patent data available for this compound.