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
1
Annotation Hits

0
References

25
Patents

232.1787 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18598 157.1
[M+Na]+ 255.16792 160.5
[M-H]- 231.17142 156.4
[M+NH4]+ 250.21252 174.5
[M+K]+ 271.14186 160.3
[M+H-H2O]+ 215.17596 150.3
[M+HCOO]- 277.17690 181.2
[M+CH3COO]- 291.19255 196.7
[M+Na-2H]- 253.15337 160.7
[M]+ 232.17815 161.5
[M]- 232.17925 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