CID 45091851

215254-90-3

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC(C)(C)OC(=O)NCCNC=O
InChI
InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)10-5-4-9-6-11/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKey
CMTRPQLUJIILIR-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formamidoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

188.11609 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 142.6
[M+Na]+ 211.105308 148.1
[M-H]- 187.108814 142.8
[M+NH4]+ 206.149913 161.8
[M+K]+ 227.079248 148.4
[M+H-H2O]+ 171.113350 137.2
[M+HCOO]- 233.114291 166.3
[M+CH3COO]- 247.129941 186.3
[M+Na-2H]- 209.090756 148.5
[M]+ 188.11554142 144.5
[M]- 188.11663858 144.5
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