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]+ 235.16524 156.6
[M+Na]+ 257.14718 159.7
[M-H]- 233.15068 153.5
[M+NH4]+ 252.19178 172.4
[M+K]+ 273.12112 159.5
[M+H-H2O]+ 217.15522 150.9
[M+HCOO]- 279.15616 175.6
[M+CH3COO]- 293.17181 191.4
[M+Na-2H]- 255.13263 159.2
[M]+ 234.15741 156.8
[M]- 234.15851 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.