CID 148902

60784-47-6

Structural Information

Molecular Formula
C6H12ClN3O3
SMILES
C(CNC(=O)N(CCCl)N=O)CO
InChI
InChI=1S/C6H12ClN3O3/c7-2-4-10(9-13)6(12)8-3-1-5-11/h11H,1-5H2,(H,8,12)
InChIKey
SZRUDGOANPYZEE-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(3-hydroxypropyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.05672 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06400 143.3
[M+Na]+ 232.04594 149.2
[M-H]- 208.04944 144.9
[M+NH4]+ 227.09054 162.6
[M+K]+ 248.01988 148.7
[M+H-H2O]+ 192.05398 137.9
[M+HCOO]- 254.05492 166.3
[M+CH3COO]- 268.07057 193.0
[M+Na-2H]- 230.03139 148.5
[M]+ 209.05617 147.4
[M]- 209.05727 147.4
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

patents stripe