CID 43281

Brn 0187533

Structural Information

Molecular Formula
C10H19ClN2O3
SMILES
C1COCCN1CCCNC(=O)OCCCl
InChI
InChI=1S/C10H19ClN2O3/c11-2-7-16-10(14)12-3-1-4-13-5-8-15-9-6-13/h1-9H2,(H,12,14)
InChIKey
XDIYYKZKLVDQAK-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(3-morpholin-4-ylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.10841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11569 157.1
[M+Na]+ 273.09763 160.9
[M-H]- 249.10113 158.3
[M+NH4]+ 268.14223 171.8
[M+K]+ 289.07157 159.6
[M+H-H2O]+ 233.10567 150.1
[M+HCOO]- 295.10661 171.1
[M+CH3COO]- 309.12226 191.5
[M+Na-2H]- 271.08308 161.3
[M]+ 250.10786 158.2
[M]- 250.10896 158.2
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.