CID 3018434

73410-12-5

Structural Information

Molecular Formula
C15H29NO
SMILES
CC1CCC(C(C1)C(=O)NCC(C)C)C(C)C
InChI
InChI=1S/C15H29NO/c1-10(2)9-16-15(17)14-8-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3,(H,16,17)
InChIKey
ITJYYFZIWYPAGQ-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.22491 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.232186 162.5
[M+Na]+ 262.214128 165.0
[M-H]- 238.217634 164.8
[M+NH4]+ 257.258733 180.1
[M+K]+ 278.188068 163.6
[M+H-H2O]+ 222.222170 156.4
[M+HCOO]- 284.223111 179.1
[M+CH3COO]- 298.238761 200.9
[M+Na-2H]- 260.199576 159.7
[M]+ 239.22436142 159.1
[M]- 239.22545858 159.1
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

No patent data available for this compound.