CID 170456227

(2s)-2-[2-[[(2s)-1-hydroxybutan-2-yl]amino]ethylamino]butanal

Structural Information

Molecular Formula
C10H22N2O2
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)C=O
InChI
InChI=1S/C10H22N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h7,9-12,14H,3-6,8H2,1-2H3/t9-,10-/m0/s1
InChIKey
YLDLRWWIWIFWRZ-UWVGGRQHSA-N
Compound name
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.16812 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.175396 151.2
[M+Na]+ 225.157338 154.3
[M-H]- 201.160844 149.2
[M+NH4]+ 220.201943 168.8
[M+K]+ 241.131278 153.3
[M+H-H2O]+ 185.165380 145.0
[M+HCOO]- 247.166321 172.8
[M+CH3COO]- 261.181971 191.2
[M+Na-2H]- 223.142786 153.3
[M]+ 202.16757142 151.2
[M]- 202.16866858 151.2
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.