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

3
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 148.0
[M+Na]+ 224.13694 152.3
[M-H]- 200.14044 150.6
[M+NH4]+ 219.18154 167.6
[M+K]+ 240.11088 153.8
[M+H-H2O]+ 184.14498 140.9
[M+HCOO]- 246.14592 175.7
[M+CH3COO]- 260.16157 198.8
[M+Na-2H]- 222.12239 152.6
[M]+ 201.14717 151.8
[M]- 201.14827 151.8
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

No patent data available for this compound.