CID 39589

1,1-diethyl-3-methyl-3-nitrosourea

Structural Information

Molecular Formula
C6H13N3O2
SMILES
CCN(CC)C(=O)N(C)N=O
InChI
InChI=1S/C6H13N3O2/c1-4-9(5-2)6(10)8(3)7-11/h4-5H2,1-3H3
InChIKey
IQUAIARLKRYQOY-UHFFFAOYSA-N
Compound name
1,1-diethyl-3-methyl-3-nitrosourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2
Patents

159.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.10805 135.2
[M+Na]+ 182.08999 142.6
[M+NH4]+ 177.13459 142.0
[M+K]+ 198.06393 139.3
[M-H]- 158.09349 135.9
[M+Na-2H]- 180.07544 138.8
[M]+ 159.10022 135.9
[M]- 159.10132 135.9
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