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)pyridin-2-yl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

215.07285 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08013 144.6
[M+Na]+ 238.06207 152.6
[M-H]- 214.06557 148.2
[M+NH4]+ 233.10667 162.2
[M+K]+ 254.03601 150.6
[M+H-H2O]+ 198.07011 137.5
[M+HCOO]- 260.07105 163.8
[M+CH3COO]- 274.08670 191.2
[M+Na-2H]- 236.04752 149.1
[M]+ 215.07230 146.6
[M]- 215.07340 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