CID 545700

N-(tert-butoxycarbonyl)-n-methyl-2-aminoethanol

Structural Information

Molecular Formula
C8H17NO3
SMILES
CC(C)(C)OC(=O)N(C)CCO
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h10H,5-6H2,1-4H3
InChIKey
RFDSJHHLGFFVHD-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1961
Patents

175.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 140.1
[M+Na]+ 198.11007 146.1
[M-H]- 174.11357 140.6
[M+NH4]+ 193.15467 160.4
[M+K]+ 214.08401 147.6
[M+H-H2O]+ 158.11811 135.5
[M+HCOO]- 220.11905 161.8
[M+CH3COO]- 234.13470 183.1
[M+Na-2H]- 196.09552 144.6
[M]+ 175.12030 143.0
[M]- 175.12140 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe