CID 120300

1,1-dibutylurea

Structural Information

Molecular Formula
C9H20N2O
SMILES
CCCCN(CCCC)C(=O)N
InChI
InChI=1S/C9H20N2O/c1-3-5-7-11(9(10)12)8-6-4-2/h3-8H2,1-2H3,(H2,10,12)
InChIKey
PCKKNFLLFBDNPA-UHFFFAOYSA-N
Compound name
1,1-dibutylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1791
Patents

172.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.164836 143.7
[M+Na]+ 195.146778 148.3
[M-H]- 171.150284 144.4
[M+NH4]+ 190.191383 164.0
[M+K]+ 211.120718 148.6
[M+H-H2O]+ 155.154820 137.7
[M+HCOO]- 217.155761 167.9
[M+CH3COO]- 231.171411 190.0
[M+Na-2H]- 193.132226 146.4
[M]+ 172.15701142 144.7
[M]- 172.15810858 144.7
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