CID 91878

56471-42-2

Structural Information

Molecular Formula
C16H31NO2
SMILES
CCC(C)C1(CCCCCC1)C(=O)NC(C)(C)CO
InChI
InChI=1S/C16H31NO2/c1-5-13(2)16(10-8-6-7-9-11-16)14(19)17-15(3,4)12-18/h13,18H,5-12H2,1-4H3,(H,17,19)
InChIKey
CFPRLPOHLDRYIP-UHFFFAOYSA-N
Compound name
1-butan-2-yl-N-(1-hydroxy-2-methylpropan-2-yl)cycloheptane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.23547 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.242746 163.0
[M+Na]+ 292.224688 162.6
[M-H]- 268.228194 164.7
[M+NH4]+ 287.269293 178.9
[M+K]+ 308.198628 165.5
[M+H-H2O]+ 252.232730 158.1
[M+HCOO]- 314.233671 177.1
[M+CH3COO]- 328.249321 200.6
[M+Na-2H]- 290.210136 164.1
[M]+ 269.23492142 156.2
[M]- 269.23601858 156.2
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.