CID 48332

Ro 2-2016

Structural Information

Molecular Formula
C14H24N3O2
SMILES
CC[N+](C)(CC)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C14H24N3O2/c1-6-17(5,7-2)11-12-13(9-8-10-15-12)19-14(18)16(3)4/h8-10H,6-7,11H2,1-5H3/q+1
InChIKey
BPYVDHJGFPGESL-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.18686 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.194136 161.7
[M+Na]+ 289.176078 167.2
[M-H]- 265.179584 166.8
[M+NH4]+ 284.220683 178.0
[M+K]+ 305.150018 161.8
[M+H-H2O]+ 249.184120 156.7
[M+HCOO]- 311.185061 185.1
[M+CH3COO]- 325.200711 202.0
[M+Na-2H]- 287.161526 169.3
[M]+ 266.18631142 165.1
[M]- 266.18740858 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.