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

36
Patents

188.11609 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 142.6
[M+Na]+ 211.10531 148.1
[M-H]- 187.10881 142.8
[M+NH4]+ 206.14991 161.8
[M+K]+ 227.07925 148.4
[M+H-H2O]+ 171.11335 137.2
[M+HCOO]- 233.11429 166.3
[M+CH3COO]- 247.12994 186.3
[M+Na-2H]- 209.09076 148.5
[M]+ 188.11554 144.5
[M]- 188.11664 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