CID 61158716

7-(7-aminoheptanamido)heptanoic acid hydrochloride

Structural Information

Molecular Formula
C14H28N2O3
SMILES
C(CCCN)CCC(=O)NCCCCCCC(=O)O
InChI
InChI=1S/C14H28N2O3/c15-11-7-3-1-5-9-13(17)16-12-8-4-2-6-10-14(18)19/h1-12,15H2,(H,16,17)(H,18,19)
InChIKey
SNEUQJCNIMVODV-UHFFFAOYSA-N
Compound name
7-(7-aminoheptanoylamino)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.21 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.217276 170.3
[M+Na]+ 295.199218 172.0
[M-H]- 271.202724 167.1
[M+NH4]+ 290.243823 184.8
[M+K]+ 311.173158 169.7
[M+H-H2O]+ 255.207260 163.2
[M+HCOO]- 317.208201 190.4
[M+CH3COO]- 331.223851 203.3
[M+Na-2H]- 293.184666 169.5
[M]+ 272.20945142 171.5
[M]- 272.21054858 171.5
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.