CID 44949

Ar-39

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCN(CC)CC1=CC=CC=C1OC(=O)N(C)C
InChI
InChI=1S/C14H22N2O2/c1-5-16(6-2)11-12-9-7-8-10-13(12)18-14(17)15(3)4/h7-10H,5-6,11H2,1-4H3
InChIKey
QCRYZUAFQRMWQL-UHFFFAOYSA-N
Compound name
[2-(diethylaminomethyl)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.1
[M+Na]+ 273.15734 165.9
[M-H]- 249.16084 167.1
[M+NH4]+ 268.20194 179.1
[M+K]+ 289.13128 166.5
[M+H-H2O]+ 233.16538 153.3
[M+HCOO]- 295.16632 186.7
[M+CH3COO]- 309.18197 207.0
[M+Na-2H]- 271.14279 163.6
[M]+ 250.16757 165.6
[M]- 250.16867 165.6
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.