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
6
Annotation Hits

3575
References

11814
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 117.5
[M+Na]+ 126.02740 125.2
[M+NH4]+ 121.07200 124.5
[M+K]+ 142.00134 122.5
[M-H]- 102.03090 117.8
[M+Na-2H]- 124.01285 121.4
[M]+ 103.03763 118.1
[M]- 103.03873 118.1
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