CID 54595491

4-methanesulfinylbutan-2-amine hydrochloride

Structural Information

Molecular Formula
C5H13NOS
SMILES
CC(CCS(=O)C)N
InChI
InChI=1S/C5H13NOS/c1-5(6)3-4-8(2)7/h5H,3-4,6H2,1-2H3
InChIKey
MFWOBUUJNZADED-UHFFFAOYSA-N
Compound name
4-methylsulfinylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

135.0718 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.079076 128.1
[M+Na]+ 158.061018 134.5
[M-H]- 134.064524 128.1
[M+NH4]+ 153.105623 149.8
[M+K]+ 174.034958 133.6
[M+H-H2O]+ 118.069060 123.0
[M+HCOO]- 180.070001 145.2
[M+CH3COO]- 194.085651 174.9
[M+Na-2H]- 156.046466 128.8
[M]+ 135.07125142 128.6
[M]- 135.07234858 128.6
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