CID 5747551

N-(((diethylamino)carbonyl)oxy)butanimidoyl chloride

Structural Information

Molecular Formula
C9H17ClN2O2
SMILES
CCC/C(=N/OC(=O)N(CC)CC)/Cl
InChI
InChI=1S/C9H17ClN2O2/c1-4-7-8(10)11-14-9(13)12(5-2)6-3/h4-7H2,1-3H3/b11-8-
InChIKey
NHCLJLUJYIGMNC-FLIBITNWSA-N
Compound name
[(Z)-1-chlorobutylideneamino] N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09785 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10513 151.2
[M+Na]+ 243.08707 157.2
[M-H]- 219.09057 154.0
[M+NH4]+ 238.13167 171.4
[M+K]+ 259.06101 156.8
[M+H-H2O]+ 203.09511 146.0
[M+HCOO]- 265.09605 172.6
[M+CH3COO]- 279.11170 197.7
[M+Na-2H]- 241.07252 153.9
[M]+ 220.09730 157.1
[M]- 220.09840 157.1
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.