CID 116241

64037-64-5

Structural Information

Molecular Formula
C6H15NS
SMILES
CC(C)(C)SN(C)C
InChI
InChI=1S/C6H15NS/c1-6(2,3)8-7(4)5/h1-5H3
InChIKey
GRHWFPGYJYPMEQ-UHFFFAOYSA-N
Compound name
N-tert-butylsulfanyl-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

133.09251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09979 128.7
[M+Na]+ 156.08173 135.8
[M-H]- 132.08523 130.9
[M+NH4]+ 151.12633 152.0
[M+K]+ 172.05567 136.2
[M+H-H2O]+ 116.08977 124.0
[M+HCOO]- 178.09071 146.9
[M+CH3COO]- 192.10636 179.1
[M+Na-2H]- 154.06718 132.3
[M]+ 133.09196 131.9
[M]- 133.09306 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe