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]+ 188.10297 139.5
[M+Na]+ 210.08491 142.9
[M-H]- 186.08841 145.7
[M+NH4]+ 205.12951 157.6
[M+K]+ 226.05885 146.1
[M+H-H2O]+ 170.09295 132.0
[M+HCOO]- 232.09389 164.5
[M+CH3COO]- 246.10954 191.3
[M+Na-2H]- 208.07036 146.1
[M]+ 187.09514 137.9
[M]- 187.09624 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.