CID 148903

1-(2-chloroethyl)-3-(4-hydroxybutyl)-1-nitrosourea

Structural Information

Molecular Formula
C7H14ClN3O3
SMILES
C(CCO)CNC(=O)N(CCCl)N=O
InChI
InChI=1S/C7H14ClN3O3/c8-3-5-11(10-14)7(13)9-4-1-2-6-12/h12H,1-6H2,(H,9,13)
InChIKey
MYUUYILUYUAZSN-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(4-hydroxybutyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07237 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.079646 147.9
[M+Na]+ 246.061588 153.3
[M-H]- 222.065094 149.3
[M+NH4]+ 241.106193 166.6
[M+K]+ 262.035528 152.7
[M+H-H2O]+ 206.069630 142.3
[M+HCOO]- 268.070571 170.6
[M+CH3COO]- 282.086221 196.0
[M+Na-2H]- 244.047036 152.6
[M]+ 223.07182142 152.3
[M]- 223.07291858 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.