CID 104437699

Tert-butyl n-{2-[(2,3-dihydroxypropyl)amino]ethyl}carbamate

Structural Information

Molecular Formula
C10H22N2O4
SMILES
CC(C)(C)OC(=O)NCCNCC(CO)O
InChI
InChI=1S/C10H22N2O4/c1-10(2,3)16-9(15)12-5-4-11-6-8(14)7-13/h8,11,13-14H,4-7H2,1-3H3,(H,12,15)
InChIKey
UXKNXXCKDKRMEO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2,3-dihydroxypropylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.15796 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.165236 156.6
[M+Na]+ 257.147178 159.7
[M-H]- 233.150684 153.5
[M+NH4]+ 252.191783 172.4
[M+K]+ 273.121118 159.5
[M+H-H2O]+ 217.155220 150.9
[M+HCOO]- 279.156161 175.6
[M+CH3COO]- 293.171811 191.4
[M+Na-2H]- 255.132626 159.2
[M]+ 234.15741142 156.8
[M]- 234.15850858 156.8
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

No patent data available for this compound.