CID 57440196

849815-17-4

Structural Information

Molecular Formula
C10H22N2O3
SMILES
CC(C)(C)OC(=O)NCCC[C@@H](CO)N
InChI
InChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12-6-4-5-8(11)7-13/h8,13H,4-7,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKey
YFDWGXVZFIAABK-QMMMGPOBSA-N
Compound name
tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

218.16304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.170316 154.2
[M+Na]+ 241.152258 158.0
[M-H]- 217.155764 152.2
[M+NH4]+ 236.196863 171.3
[M+K]+ 257.126198 157.7
[M+H-H2O]+ 201.160300 148.7
[M+HCOO]- 263.161241 174.0
[M+CH3COO]- 277.176891 191.1
[M+Na-2H]- 239.137706 156.2
[M]+ 218.16249142 153.9
[M]- 218.16358858 153.9
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