CID 44976

63884-90-2

Structural Information

Molecular Formula
C13H17ClN2O3
SMILES
CCN(CCCl)C(=O)OC1=CC(=C(C(=C1)C)N=O)C
InChI
InChI=1S/C13H17ClN2O3/c1-4-16(6-5-14)13(17)19-11-7-9(2)12(15-18)10(3)8-11/h7-8H,4-6H2,1-3H3
InChIKey
JPXXVPJIMCOOSD-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-4-nitrosophenyl) N-(2-chloroethyl)-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09277 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10005 163.2
[M+Na]+ 307.08199 171.6
[M-H]- 283.08549 169.9
[M+NH4]+ 302.12659 181.3
[M+K]+ 323.05593 169.9
[M+H-H2O]+ 267.09003 156.8
[M+HCOO]- 329.09097 186.0
[M+CH3COO]- 343.10662 210.4
[M+Na-2H]- 305.06744 165.8
[M]+ 284.09222 171.6
[M]- 284.09332 171.6
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.