CID 54592933

2-(2-aminoethanesulfinyl)-2-methylpropane

Structural Information

Molecular Formula
C6H15NOS
SMILES
CC(C)(C)S(=O)CCN
InChI
InChI=1S/C6H15NOS/c1-6(2,3)9(8)5-4-7/h4-5,7H2,1-3H3
InChIKey
XQUVDHRTWQXLMK-UHFFFAOYSA-N
Compound name
2-tert-butylsulfinylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

149.08743 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09471 132.6
[M+Na]+ 172.07665 139.3
[M-H]- 148.08015 132.7
[M+NH4]+ 167.12125 154.0
[M+K]+ 188.05059 138.2
[M+H-H2O]+ 132.08469 127.9
[M+HCOO]- 194.08563 149.0
[M+CH3COO]- 208.10128 176.7
[M+Na-2H]- 170.06210 134.7
[M]+ 149.08688 133.5
[M]- 149.08798 133.5
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