CID 3088120

1,4,7,10-tetraoxa-13-azacyclopentadecane, 13-(4-amino-1-oxobutyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H28N2O5
SMILES
C1COCCOCCOCCOCCN1C(=O)CCCN
InChI
InChI=1S/C14H28N2O5/c15-3-1-2-14(17)16-4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h1-13,15H2
InChIKey
WRJPUGULUKZNDM-UHFFFAOYSA-N
Compound name
4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19983 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20711 175.1
[M+Na]+ 327.18905 174.9
[M-H]- 303.19255 175.8
[M+NH4]+ 322.23365 178.8
[M+K]+ 343.16299 179.1
[M+H-H2O]+ 287.19709 170.6
[M+HCOO]- 349.19803 185.0
[M+CH3COO]- 363.21368 194.9
[M+Na-2H]- 325.17450 176.9
[M]+ 304.19928 167.6
[M]- 304.20038 167.6
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.