CID 50413

Ethyl 3-(p-chloro-alpha-methylbenzyl)carbazate

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CCOC(=O)NNC(C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H15ClN2O2/c1-3-16-11(15)14-13-8(2)9-4-6-10(12)7-5-9/h4-8,13H,3H2,1-2H3,(H,14,15)
InChIKey
FUDNZWLAFXGUSR-UHFFFAOYSA-N
Compound name
ethyl N-[1-(4-chlorophenyl)ethylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 153.8
[M+Na]+ 265.07142 160.2
[M-H]- 241.07492 157.3
[M+NH4]+ 260.11602 171.7
[M+K]+ 281.04536 157.1
[M+H-H2O]+ 225.07946 148.0
[M+HCOO]- 287.08040 174.0
[M+CH3COO]- 301.09605 195.7
[M+Na-2H]- 263.05687 157.8
[M]+ 242.08165 156.2
[M]- 242.08275 156.2
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.