CID 130063

1-(2-methoxyethyl)-1-nitrosourea

Structural Information

Molecular Formula
C4H9N3O3
SMILES
COCCN(C(=O)N)N=O
InChI
InChI=1S/C4H9N3O3/c1-10-3-2-7(6-9)4(5)8/h2-3H2,1H3,(H2,5,8)
InChIKey
LGTPJLYTRSHHTM-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

147.06439 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07167 127.2
[M+Na]+ 170.05361 133.5
[M-H]- 146.05711 130.1
[M+NH4]+ 165.09821 148.4
[M+K]+ 186.02755 136.3
[M+H-H2O]+ 130.06165 120.8
[M+HCOO]- 192.06259 156.1
[M+CH3COO]- 206.07824 185.7
[M+Na-2H]- 168.03906 133.4
[M]+ 147.06384 129.5
[M]- 147.06494 129.5
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.