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]+ 233.18598 158.8
[M+Na]+ 255.16792 162.1
[M-H]- 231.17142 156.5
[M+NH4]+ 250.21252 175.3
[M+K]+ 271.14186 161.6
[M+H-H2O]+ 215.17596 153.0
[M+HCOO]- 277.17690 178.2
[M+CH3COO]- 291.19255 194.1
[M+Na-2H]- 253.15337 160.2
[M]+ 232.17815 158.9
[M]- 232.17925 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