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

6522
Patents

117.053825 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.061101 120.3
[M+Na]+ 140.043043 127.1
[M-H]- 116.046549 123.4
[M+NH4]+ 135.087648 142.8
[M+K]+ 156.016983 129.7
[M+H-H2O]+ 100.051085 114.4
[M+HCOO]- 162.052026 149.3
[M+CH3COO]- 176.067676 180.6
[M+Na-2H]- 138.028491 126.9
[M]+ 117.05327642 120.8
[M]- 117.05437358 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

literature stripe

Patent stripe

patents stripe