CID 3016014

38826-92-5

Structural Information

Molecular Formula
C8H19N3O2
SMILES
C(CC(=O)NCCNCCN)CO
InChI
InChI=1S/C8H19N3O2/c9-3-4-10-5-6-11-8(13)2-1-7-12/h10,12H,1-7,9H2,(H,11,13)
InChIKey
AIQCOYGNNVZTSU-UHFFFAOYSA-N
Compound name
N-[2-(2-aminoethylamino)ethyl]-4-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.14772 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.154996 144.0
[M+Na]+ 212.136938 147.3
[M-H]- 188.140444 141.8
[M+NH4]+ 207.181543 161.6
[M+K]+ 228.110878 146.1
[M+H-H2O]+ 172.144980 137.5
[M+HCOO]- 234.145921 167.6
[M+CH3COO]- 248.161571 188.3
[M+Na-2H]- 210.122386 147.8
[M]+ 189.14717142 142.0
[M]- 189.14826858 142.0
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.