CID 210426

1,1-dibutyl-3-methylurea

Structural Information

Molecular Formula
C10H22N2O
SMILES
CCCCN(CCCC)C(=O)NC
InChI
InChI=1S/C10H22N2O/c1-4-6-8-12(9-7-5-2)10(13)11-3/h4-9H2,1-3H3,(H,11,13)
InChIKey
QRCDREJTSRDZKB-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

186.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.18050 148.2
[M+Na]+ 209.16244 152.4
[M-H]- 185.16594 149.3
[M+NH4]+ 204.20704 168.3
[M+K]+ 225.13638 152.8
[M+H-H2O]+ 169.17048 142.0
[M+HCOO]- 231.17142 172.7
[M+CH3COO]- 245.18707 193.1
[M+Na-2H]- 207.14789 151.5
[M]+ 186.17267 150.6
[M]- 186.17377 150.6
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