CID 58436

101491-62-7

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCN(CC)CCNC(=O)OCC1=C(C=CC=C1C)C
InChI
InChI=1S/C16H26N2O2/c1-5-18(6-2)11-10-17-16(19)20-12-15-13(3)8-7-9-14(15)4/h7-9H,5-6,10-12H2,1-4H3,(H,17,19)
InChIKey
AOCKYKMEEKPTQW-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl)methyl N-[2-(diethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 169.9
[M+Na]+ 301.18865 174.7
[M-H]- 277.19215 174.4
[M+NH4]+ 296.23325 186.5
[M+K]+ 317.16259 173.4
[M+H-H2O]+ 261.19669 162.2
[M+HCOO]- 323.19763 194.3
[M+CH3COO]- 337.21328 210.8
[M+Na-2H]- 299.17410 171.5
[M]+ 278.19888 174.3
[M]- 278.19998 174.3
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.