CID 58981742

Tert-butyl n-[2-hydroxy-3-(methylamino)propyl]carbamate

Structural Information

Molecular Formula
C9H20N2O3
SMILES
CC(C)(C)OC(=O)NCC(CNC)O
InChI
InChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-6-7(12)5-10-4/h7,10,12H,5-6H2,1-4H3,(H,11,13)
InChIKey
PFBXYIOWRYJKIW-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.1474 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15468 149.4
[M+Na]+ 227.13662 153.6
[M-H]- 203.14012 148.1
[M+NH4]+ 222.18122 167.3
[M+K]+ 243.11056 153.9
[M+H-H2O]+ 187.14466 144.1
[M+HCOO]- 249.14560 170.1
[M+CH3COO]- 263.16125 188.6
[M+Na-2H]- 225.12207 153.0
[M]+ 204.14685 149.8
[M]- 204.14795 149.8
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