CID 71756587

5-(tert-butylsulfanyl)pyridine-2-carboximidamide hydrochloride

Structural Information

Molecular Formula
C10H15N3S
SMILES
CC(C)(C)SC1=CN=C(C=C1)C(=N)N
InChI
InChI=1S/C10H15N3S/c1-10(2,3)14-7-4-5-8(9(11)12)13-6-7/h4-6H,1-3H3,(H3,11,12)
InChIKey
VJJWVNKQYMEHBX-UHFFFAOYSA-N
Compound name
5-tert-butylsulfanylpyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09866 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10594 147.1
[M+Na]+ 232.08788 154.0
[M-H]- 208.09138 149.1
[M+NH4]+ 227.13248 164.6
[M+K]+ 248.06182 150.3
[M+H-H2O]+ 192.09592 140.5
[M+HCOO]- 254.09686 163.6
[M+CH3COO]- 268.11251 190.6
[M+Na-2H]- 230.07333 150.1
[M]+ 209.09811 145.9
[M]- 209.09921 145.9
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.