CID 49110

Ro 2-2219

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CCN(CC)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C13H21N3O2/c1-5-16(6-2)10-11-12(8-7-9-14-11)18-13(17)15(3)4/h7-9H,5-6,10H2,1-4H3
InChIKey
RVJZBNZOYTYDPG-UHFFFAOYSA-N
Compound name
[2-(diethylaminomethyl)pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16338 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 160.4
[M+Na]+ 274.15260 165.7
[M-H]- 250.15610 165.2
[M+NH4]+ 269.19720 177.0
[M+K]+ 290.12654 166.4
[M+H-H2O]+ 234.16064 151.9
[M+HCOO]- 296.16158 185.1
[M+CH3COO]- 310.17723 206.6
[M+Na-2H]- 272.13805 163.8
[M]+ 251.16283 165.1
[M]- 251.16393 165.1
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.