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]+ 273.21728 170.3
[M+Na]+ 295.19922 172.0
[M-H]- 271.20272 167.1
[M+NH4]+ 290.24382 184.8
[M+K]+ 311.17316 169.7
[M+H-H2O]+ 255.20726 163.2
[M+HCOO]- 317.20820 190.4
[M+CH3COO]- 331.22385 203.3
[M+Na-2H]- 293.18467 169.5
[M]+ 272.20945 171.5
[M]- 272.21055 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.