CID 57687745

359867-97-3

Structural Information

Molecular Formula
C11H24N2O3
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](CO)N
InChI
InChI=1S/C11H24N2O3/c1-11(2,3)16-10(15)13-7-5-4-6-9(12)8-14/h9,14H,4-8,12H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKey
PKQRDACDTZZJTB-VIFPVBQESA-N
Compound name
tert-butyl N-[(5S)-5-amino-6-hydroxyhexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

232.1787 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.185976 158.8
[M+Na]+ 255.167918 162.1
[M-H]- 231.171424 156.5
[M+NH4]+ 250.212523 175.3
[M+K]+ 271.141858 161.6
[M+H-H2O]+ 215.175960 153.0
[M+HCOO]- 277.176901 178.2
[M+CH3COO]- 291.192551 194.1
[M+Na-2H]- 253.153366 160.2
[M]+ 232.17815142 158.9
[M]- 232.17924858 158.9
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

patents stripe