CID 105035

Nitrosourea

Structural Information

Molecular Formula
CH3N3O2
SMILES
C(=O)(N)NN=O
InChI
InChI=1S/CH3N3O2/c2-1(5)3-4-6/h(H3,2,3,5,6)
InChIKey
OSTGTTZJOCZWJG-UHFFFAOYSA-N
Compound name
nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

429
References

36318
Patents

89.02253 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.029806 110.7
[M+Na]+ 112.01175 118.1
[M-H]- 88.015254 112.6
[M+NH4]+ 107.05635 133.6
[M+K]+ 127.98569 119.7
[M+H-H2O]+ 72.019790 105.2
[M+HCOO]- 134.02073 139.8
[M+CH3COO]- 148.03638 171.0
[M+Na-2H]- 109.99720 119.1
[M]+ 89.021981 109.1
[M]- 89.023079 109.1
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