CID 97349

33024-62-3

Structural Information

Molecular Formula
C7H13N3O3
SMILES
CN(C(=O)NC1CCOCC1)N=O
InChI
InChI=1S/C7H13N3O3/c1-10(9-12)7(11)8-6-2-4-13-5-3-6/h6H,2-5H2,1H3,(H,8,11)
InChIKey
YNCHGGQBYMXIDI-UHFFFAOYSA-N
Compound name
1-methyl-1-nitroso-3-(oxan-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09569 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.102966 139.5
[M+Na]+ 210.084908 142.9
[M-H]- 186.088414 145.7
[M+NH4]+ 205.129513 157.6
[M+K]+ 226.058848 146.1
[M+H-H2O]+ 170.092950 132.0
[M+HCOO]- 232.093891 164.5
[M+CH3COO]- 246.109541 191.3
[M+Na-2H]- 208.070356 146.1
[M]+ 187.09514142 137.9
[M]- 187.09623858 137.9
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.