CID 83695

1-(2-hydroxyethyl)-1-nitrosourea

Structural Information

Molecular Formula
C3H7N3O3
SMILES
C(CO)N(C(=O)N)N=O
InChI
InChI=1S/C3H7N3O3/c4-3(8)6(5-9)1-2-7/h7H,1-2H2,(H2,4,8)
InChIKey
IVEXWRHLJIZLHF-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

102
Patents

133.04874 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.056016 123.1
[M+Na]+ 156.037958 129.3
[M-H]- 132.041464 124.7
[M+NH4]+ 151.082563 144.1
[M+K]+ 172.011898 131.5
[M+H-H2O]+ 116.046000 117.1
[M+HCOO]- 178.046941 150.8
[M+CH3COO]- 192.062591 180.2
[M+Na-2H]- 154.023406 129.2
[M]+ 133.04819142 123.1
[M]- 133.04928858 123.1
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