CID 470075

2-[2-(sec-butylamino)ethylamino]butan-1-ol

Structural Information

Molecular Formula
C10H24N2O
SMILES
CCC(C)NCCNC(CC)CO
InChI
InChI=1S/C10H24N2O/c1-4-9(3)11-6-7-12-10(5-2)8-13/h9-13H,4-8H2,1-3H3
InChIKey
VPJXKIPOKPPYSU-UHFFFAOYSA-N
Compound name
2-[2-(butan-2-ylamino)ethylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

188.18886 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.19614 150.1
[M+Na]+ 211.17808 152.9
[M-H]- 187.18158 148.1
[M+NH4]+ 206.22268 168.4
[M+K]+ 227.15202 152.1
[M+H-H2O]+ 171.18612 144.1
[M+HCOO]- 233.18706 171.2
[M+CH3COO]- 247.20271 190.1
[M+Na-2H]- 209.16353 152.1
[M]+ 188.18831 149.3
[M]- 188.18941 149.3
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