CID 3544722

N-butylcyclohexanecarboxamide

Structural Information

Molecular Formula
C11H21NO
SMILES
CCCCNC(=O)C1CCCCC1
InChI
InChI=1S/C11H21NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,12,13)
InChIKey
WHJBSNFKYDXSDN-UHFFFAOYSA-N
Compound name
N-butylcyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

183.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.16959 145.3
[M+Na]+ 206.15153 147.9
[M-H]- 182.15503 147.3
[M+NH4]+ 201.19613 164.5
[M+K]+ 222.12547 146.5
[M+H-H2O]+ 166.15957 138.9
[M+HCOO]- 228.16051 165.2
[M+CH3COO]- 242.17616 184.6
[M+Na-2H]- 204.13698 148.4
[M]+ 183.16176 140.8
[M]- 183.16286 140.8
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