CID 112729382

N-(2-hydroxyethyl)azepane-1-carboxamide

Structural Information

Molecular Formula
C9H18N2O2
SMILES
C1CCCN(CC1)C(=O)NCCO
InChI
InChI=1S/C9H18N2O2/c12-8-5-10-9(13)11-6-3-1-2-4-7-11/h12H,1-8H2,(H,10,13)
InChIKey
KLBUNYBRUYOETR-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)azepane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 139.1
[M+Na]+ 209.126048 140.4
[M-H]- 185.129554 140.0
[M+NH4]+ 204.170653 154.8
[M+K]+ 225.099988 143.9
[M+H-H2O]+ 169.134090 132.0
[M+HCOO]- 231.135031 156.5
[M+CH3COO]- 245.150681 181.9
[M+Na-2H]- 207.111496 142.7
[M]+ 186.13628142 131.0
[M]- 186.13737858 131.0
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.