CID 93590

57233-04-2

Structural Information

Molecular Formula
C14H27NO
SMILES
CC1CCC(C(C1)C(=O)NC(C)C)C(C)C
InChI
InChI=1S/C14H27NO/c1-9(2)12-7-6-11(5)8-13(12)14(16)15-10(3)4/h9-13H,6-8H2,1-5H3,(H,15,16)
InChIKey
MTOKWHLXXJOHAZ-UHFFFAOYSA-N
Compound name
5-methyl-N,2-di(propan-2-yl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

225.20926 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.216536 157.9
[M+Na]+ 248.198478 160.8
[M-H]- 224.201984 160.4
[M+NH4]+ 243.243083 176.0
[M+K]+ 264.172418 159.7
[M+H-H2O]+ 208.206520 152.0
[M+HCOO]- 270.207461 174.8
[M+CH3COO]- 284.223111 197.9
[M+Na-2H]- 246.183926 155.6
[M]+ 225.20871142 154.1
[M]- 225.20980858 154.1
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