CID 21118881

104068-74-8

Structural Information

Molecular Formula
C8H19N3O2
SMILES
C(CCN)C[C@@H](C(=O)OCCN)N
InChI
InChI=1S/C8H19N3O2/c9-4-2-1-3-7(11)8(12)13-6-5-10/h7H,1-6,9-11H2/t7-/m0/s1
InChIKey
RHMJDCIYQZFNMK-ZETCQYMHSA-N
Compound name
2-aminoethyl (2S)-2,6-diaminohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

215
Patents

189.14772 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.154996 145.5
[M+Na]+ 212.136938 149.0
[M-H]- 188.140444 143.7
[M+NH4]+ 207.181543 163.1
[M+K]+ 228.110878 148.5
[M+H-H2O]+ 172.144980 138.8
[M+HCOO]- 234.145921 168.3
[M+CH3COO]- 248.161571 190.5
[M+Na-2H]- 210.122386 146.2
[M]+ 189.14717142 142.6
[M]- 189.14826858 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe