CID 47002909

3-chloropropyl n-carbamoylcarbamate

Structural Information

Molecular Formula
C5H9ClN2O3
SMILES
C(COC(=O)NC(=O)N)CCl
InChI
InChI=1S/C5H9ClN2O3/c6-2-1-3-11-5(10)8-4(7)9/h1-3H2,(H3,7,8,9,10)
InChIKey
HTIPYLCUZVNCML-UHFFFAOYSA-N
Compound name
3-chloropropyl N-carbamoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.03017 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.03745 135.6
[M+Na]+ 203.01939 142.5
[M-H]- 179.02289 135.6
[M+NH4]+ 198.06399 155.6
[M+K]+ 218.99333 141.0
[M+H-H2O]+ 163.02743 131.3
[M+HCOO]- 225.02837 155.9
[M+CH3COO]- 239.04402 181.0
[M+Na-2H]- 201.00484 139.6
[M]+ 180.02962 137.1
[M]- 180.03072 137.1
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.