CID 91876

1-sec-butyl-n-ethylcycloheptanecarboxamide

Structural Information

Molecular Formula
C14H27NO
SMILES
CCC(C)C1(CCCCCC1)C(=O)NCC
InChI
InChI=1S/C14H27NO/c1-4-12(3)14(13(16)15-5-2)10-8-6-7-9-11-14/h12H,4-11H2,1-3H3,(H,15,16)
InChIKey
POHIHTFXCLMQEZ-UHFFFAOYSA-N
Compound name
1-butan-2-yl-N-ethylcycloheptane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.216536 152.4
[M+Na]+ 248.198478 152.8
[M-H]- 224.201984 155.6
[M+NH4]+ 243.243083 170.5
[M+K]+ 264.172418 155.6
[M+H-H2O]+ 208.206520 147.1
[M+HCOO]- 270.207461 169.7
[M+CH3COO]- 284.223111 195.2
[M+Na-2H]- 246.183926 153.8
[M]+ 225.20871142 145.7
[M]- 225.20980858 145.7
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

No patent data available for this compound.