CID 49121

Ro 2-2235

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CNCC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C10H15N3O2/c1-11-7-8-9(5-4-6-12-8)15-10(14)13(2)3/h4-6,11H,7H2,1-3H3
InChIKey
PXXRVMKQQSDBHN-UHFFFAOYSA-N
Compound name
[2-(methylaminomethyl)pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 146.6
[M+Na]+ 232.10564 153.0
[M-H]- 208.10914 150.4
[M+NH4]+ 227.15024 164.3
[M+K]+ 248.07958 153.0
[M+H-H2O]+ 192.11368 138.8
[M+HCOO]- 254.11462 171.8
[M+CH3COO]- 268.13027 194.1
[M+Na-2H]- 230.09109 152.3
[M]+ 209.11587 148.9
[M]- 209.11697 148.9
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.