CID 246895

N-tert-butylcyclohexanecarboxamide

Structural Information

Molecular Formula
C11H21NO
SMILES
CC(C)(C)NC(=O)C1CCCCC1
InChI
InChI=1S/C11H21NO/c1-11(2,3)12-10(13)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKey
XEIUHIBWXRWRKW-UHFFFAOYSA-N
Compound name
N-tert-butylcyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

183.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.16959 144.7
[M+Na]+ 206.15153 147.9
[M-H]- 182.15503 147.2
[M+NH4]+ 201.19613 164.2
[M+K]+ 222.12547 147.0
[M+H-H2O]+ 166.15957 139.2
[M+HCOO]- 228.16051 163.1
[M+CH3COO]- 242.17616 184.2
[M+Na-2H]- 204.13698 148.6
[M]+ 183.16176 139.7
[M]- 183.16286 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe