CID 3036777

Nygohycsmulzos-uhfffaoysa-n

Structural Information

Molecular Formula
C13H28N2O2
SMILES
CCCCCCCC(=O)NCCC(C)N(C)O
InChI
InChI=1S/C13H28N2O2/c1-4-5-6-7-8-9-13(16)14-11-10-12(2)15(3)17/h12,17H,4-11H2,1-3H3,(H,14,16)
InChIKey
NYGOHYCSMULZOS-UHFFFAOYSA-N
Compound name
N-[3-[hydroxy(methyl)amino]butyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.21507 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.222346 165.6
[M+Na]+ 267.204288 167.7
[M-H]- 243.207794 164.6
[M+NH4]+ 262.248893 182.3
[M+K]+ 283.178228 167.4
[M+H-H2O]+ 227.212330 158.7
[M+HCOO]- 289.213271 186.7
[M+CH3COO]- 303.228921 203.0
[M+Na-2H]- 265.189736 165.4
[M]+ 244.21452142 167.9
[M]- 244.21561858 167.9
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.