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 148.0
[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

literature stripe

Patent stripe

patents stripe