CID 12699

N-methyl-n-nitrosourea

Structural Information

Molecular Formula
C2H5N3O2
SMILES
CN(C(=O)N)N=O
InChI
InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
InChIKey
ZRKWMRDKSOPRRS-UHFFFAOYSA-N
Compound name
1-methyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3578
References

13463
Patents

103.03818 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.04546 115.6
[M+Na]+ 126.02740 122.8
[M-H]- 102.03090 118.9
[M+NH4]+ 121.07200 138.7
[M+K]+ 142.00134 125.7
[M+H-H2O]+ 86.035440 109.9
[M+HCOO]- 148.03638 144.9
[M+CH3COO]- 162.05203 177.5
[M+Na-2H]- 124.01285 122.8
[M]+ 103.03763 115.8
[M]- 103.03873 115.8
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