CID 83815259

4-aminomethyl-4-methylthiane

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]+ 146.09979 129.8
[M+Na]+ 168.08173 135.1
[M-H]- 144.08523 132.3
[M+NH4]+ 163.12633 153.0
[M+K]+ 184.05567 133.3
[M+H-H2O]+ 128.08977 125.1
[M+HCOO]- 190.09071 145.6
[M+CH3COO]- 204.10636 173.9
[M+Na-2H]- 166.06718 133.4
[M]+ 145.09196 125.5
[M]- 145.09306 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