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

14
Patents

218.16304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17032 154.2
[M+Na]+ 241.15226 158.0
[M-H]- 217.15576 152.2
[M+NH4]+ 236.19686 171.3
[M+K]+ 257.12620 157.7
[M+H-H2O]+ 201.16030 148.7
[M+HCOO]- 263.16124 174.0
[M+CH3COO]- 277.17689 191.1
[M+Na-2H]- 239.13771 156.2
[M]+ 218.16249 153.9
[M]- 218.16359 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