CID 170454897

(2s)-2-[2-[[(2s)-1-hydroxybut-3-en-2-yl]amino]ethylamino]butan-1-ol

Structural Information

Molecular Formula
C10H22N2O2
SMILES
CC[C@@H](CO)NCCN[C@H](CO)C=C
InChI
InChI=1S/C10H22N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h3,9-14H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKey
JLIFYZAMXBQNPK-UWVGGRQHSA-N
Compound name
(2S)-2-[2-[[(2S)-1-hydroxybut-3-en-2-yl]amino]ethylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.16812 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.175396 151.5
[M+Na]+ 225.157338 154.1
[M-H]- 201.160844 148.1
[M+NH4]+ 220.201943 168.4
[M+K]+ 241.131278 152.3
[M+H-H2O]+ 185.165380 145.5
[M+HCOO]- 247.166321 171.6
[M+CH3COO]- 261.181971 188.8
[M+Na-2H]- 223.142786 153.1
[M]+ 202.16757142 149.5
[M]- 202.16866858 149.5
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.