CID 2731520

Schembl3512598

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CC(C)(C)NC(=O)NCCO
InChI
InChI=1S/C7H16N2O2/c1-7(2,3)9-6(11)8-4-5-10/h10H,4-5H2,1-3H3,(H2,8,9,11)
InChIKey
AVPJNLYWMUHKJP-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-(2-hydroxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

160.12119 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.128466 137.5
[M+Na]+ 183.110408 142.8
[M-H]- 159.113914 136.5
[M+NH4]+ 178.155013 157.3
[M+K]+ 199.084348 142.5
[M+H-H2O]+ 143.118450 132.7
[M+HCOO]- 205.119391 159.6
[M+CH3COO]- 219.135041 179.5
[M+Na-2H]- 181.095856 143.2
[M]+ 160.12064142 136.3
[M]- 160.12173858 136.3
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