CID 4360601

103898-11-9

Structural Information

Molecular Formula
C9H19NO4
SMILES
CC(C)(C)OC(=O)N(CCO)CCO
InChI
InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10(4-6-11)5-7-12/h11-12H,4-7H2,1-3H3
InChIKey
KMUNFRBJXIEULW-UHFFFAOYSA-N
Compound name
tert-butyl N,N-bis(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

632
Patents

205.13141 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.138686 148.1
[M+Na]+ 228.120628 153.2
[M-H]- 204.124134 146.9
[M+NH4]+ 223.165233 166.4
[M+K]+ 244.094568 154.0
[M+H-H2O]+ 188.128670 143.2
[M+HCOO]- 250.129611 168.1
[M+CH3COO]- 264.145261 185.6
[M+Na-2H]- 226.106076 151.7
[M]+ 205.13086142 150.9
[M]- 205.13195858 150.9
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