CID 92352

1,3-dibutyl-1-nitrosourea

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CCCCNC(=O)N(CCCC)N=O
InChI
InChI=1S/C9H19N3O2/c1-3-5-7-10-9(13)12(11-14)8-6-4-2/h3-8H2,1-2H3,(H,10,13)
InChIKey
OWGLVQAUSIPFBA-UHFFFAOYSA-N
Compound name
1,3-dibutyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

201.14772 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15500 148.2
[M+Na]+ 224.13694 154.8
[M+NH4]+ 219.18154 154.2
[M+K]+ 240.11088 150.2
[M-H]- 200.14044 148.4
[M+Na-2H]- 222.12239 150.8
[M]+ 201.14717 148.6
[M]- 201.14827 148.6
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

No patent data available for this compound.