CID 12967

1-ethyl-1-nitrosourea

Structural Information

Molecular Formula
C3H7N3O2
SMILES
CCN(C(=O)N)N=O
InChI
InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
InChIKey
FUSGACRLAFQQRL-UHFFFAOYSA-N
Compound name
1-ethyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2832
References

6460
Patents

117.053825 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06110 120.3
[M+Na]+ 140.04304 127.1
[M-H]- 116.04655 123.4
[M+NH4]+ 135.08765 142.8
[M+K]+ 156.01698 129.7
[M+H-H2O]+ 100.05108 114.4
[M+HCOO]- 162.05203 149.3
[M+CH3COO]- 176.06768 180.6
[M+Na-2H]- 138.02849 126.9
[M]+ 117.05328 120.8
[M]- 117.05437 120.8
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.