CID 170238

Einecs 254-580-7

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
2
Annotation Hits

0
References

1635
Patents

239.22491 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.232186 161.0
[M+Na]+ 262.214128 164.2
[M-H]- 238.217634 163.6
[M+NH4]+ 257.258733 178.9
[M+K]+ 278.188068 162.9
[M+H-H2O]+ 222.222170 155.6
[M+HCOO]- 284.223111 177.1
[M+CH3COO]- 298.238761 199.7
[M+Na-2H]- 260.199576 160.4
[M]+ 239.22436142 157.7
[M]- 239.22545858 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