CID 78679

1,3-bis(butoxymethyl)urea

Structural Information

Molecular Formula
C11H24N2O3
SMILES
CCCCOCNC(=O)NCOCCCC
InChI
InChI=1S/C11H24N2O3/c1-3-5-7-15-9-12-11(14)13-10-16-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14)
InChIKey
FXTTXOYMDFLEKM-UHFFFAOYSA-N
Compound name
1,3-bis(butoxymethyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

232.1787 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.185976 157.1
[M+Na]+ 255.167918 160.5
[M-H]- 231.171424 156.4
[M+NH4]+ 250.212523 174.5
[M+K]+ 271.141858 160.3
[M+H-H2O]+ 215.175960 150.3
[M+HCOO]- 277.176901 181.2
[M+CH3COO]- 291.192551 196.7
[M+Na-2H]- 253.153366 160.7
[M]+ 232.17815142 161.5
[M]- 232.17924858 161.5
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