CID 486265

(2s)-2-[(2-{[(1s)-2-hydroxy-1-(2-methylpropyl)ethyl]amino}ethyl)amino]-4-methylpentan-1-ol

Structural Information

Molecular Formula
C14H32N2O2
SMILES
CC(C)C[C@@H](CO)NCCN[C@@H](CC(C)C)CO
InChI
InChI=1S/C14H32N2O2/c1-11(2)7-13(9-17)15-5-6-16-14(10-18)8-12(3)4/h11-18H,5-10H2,1-4H3/t13-,14-/m0/s1
InChIKey
IIMRGFYNYZNEIY-KBPBESRZSA-N
Compound name
(2S)-2-[2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]ethylamino]-4-methylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.24637 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.25365 172.4
[M+Na]+ 283.23559 172.7
[M-H]- 259.23909 168.4
[M+NH4]+ 278.28019 186.9
[M+K]+ 299.20953 171.6
[M+H-H2O]+ 243.24363 165.8
[M+HCOO]- 305.24457 189.0
[M+CH3COO]- 319.26022 203.5
[M+Na-2H]- 281.22104 169.3
[M]+ 260.24582 171.4
[M]- 260.24692 171.4
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

No patent data available for this compound.