CID 83815259

1262411-49-3

Structural Information

Molecular Formula
C7H15NS
SMILES
CC1(CCSCC1)CN
InChI
InChI=1S/C7H15NS/c1-7(6-8)2-4-9-5-3-7/h2-6,8H2,1H3
InChIKey
FGZMGDHKFMIWJC-UHFFFAOYSA-N
Compound name
(4-methylthian-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

145.09251 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 129.8
[M+Na]+ 168.081728 135.1
[M-H]- 144.085234 132.3
[M+NH4]+ 163.126333 153.0
[M+K]+ 184.055668 133.3
[M+H-H2O]+ 128.089770 125.1
[M+HCOO]- 190.090711 145.6
[M+CH3COO]- 204.106361 173.9
[M+Na-2H]- 166.067176 133.4
[M]+ 145.09196142 125.5
[M]- 145.09305858 125.5
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