CID 170238

39668-82-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1568
Patents

239.22491 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.23219 161.0
[M+Na]+ 262.21413 164.2
[M-H]- 238.21763 163.6
[M+NH4]+ 257.25873 178.9
[M+K]+ 278.18807 162.9
[M+H-H2O]+ 222.22217 155.6
[M+HCOO]- 284.22311 177.1
[M+CH3COO]- 298.23876 199.7
[M+Na-2H]- 260.19958 160.4
[M]+ 239.22436 157.7
[M]- 239.22546 157.7
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