CID 45480403

1420886-10-7

Structural Information

Molecular Formula
C8H13N3O2S
SMILES
CN(C1=C(C=CC=N1)CN)S(=O)(=O)C
InChI
InChI=1S/C8H13N3O2S/c1-11(14(2,12)13)8-7(6-9)4-3-5-10-8/h3-5H,6,9H2,1-2H3
InChIKey
JPOHQSSYLJWDAT-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

215.07285 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.080126 144.6
[M+Na]+ 238.062068 152.6
[M-H]- 214.065574 148.2
[M+NH4]+ 233.106673 162.2
[M+K]+ 254.036008 150.6
[M+H-H2O]+ 198.070110 137.5
[M+HCOO]- 260.071051 163.8
[M+CH3COO]- 274.086701 191.2
[M+Na-2H]- 236.047516 149.1
[M]+ 215.07230142 146.6
[M]- 215.07339858 146.6
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

patents stripe