CID 46130

Kl 3611

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCCCOC1=CC(=C(C=C1)NC(=O)OCCN(C)C)C
InChI
InChI=1S/C16H26N2O3/c1-5-6-10-20-14-7-8-15(13(2)12-14)17-16(19)21-11-9-18(3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H,17,19)
InChIKey
ZBUKIEULLTVRKM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(4-butoxy-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19434 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.201616 172.7
[M+Na]+ 317.183558 177.4
[M-H]- 293.187064 177.2
[M+NH4]+ 312.228163 188.5
[M+K]+ 333.157498 176.7
[M+H-H2O]+ 277.191600 164.7
[M+HCOO]- 339.192541 197.4
[M+CH3COO]- 353.208191 212.8
[M+Na-2H]- 315.169006 174.4
[M]+ 294.19379142 178.5
[M]- 294.19488858 178.5
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.