CID 20494808

2-aminoethyl 6-aminohexanoate dihydrochloride

Structural Information

Molecular Formula
C8H18N2O2
SMILES
C(CCC(=O)OCCN)CCN
InChI
InChI=1S/C8H18N2O2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7,9-10H2
InChIKey
YKYKTIKLERDOGP-UHFFFAOYSA-N
Compound name
2-aminoethyl 6-aminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

174.13683 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.144106 141.5
[M+Na]+ 197.126048 146.2
[M-H]- 173.129554 140.2
[M+NH4]+ 192.170653 160.6
[M+K]+ 213.099988 145.4
[M+H-H2O]+ 157.134090 135.4
[M+HCOO]- 219.135031 165.0
[M+CH3COO]- 233.150681 184.9
[M+Na-2H]- 195.111496 144.4
[M]+ 174.13628142 141.2
[M]- 174.13737858 141.2
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.