CID 55255668

1314928-88-5

Structural Information

Molecular Formula
C6H15NOS
SMILES
CSCCC(CCO)N
InChI
InChI=1S/C6H15NOS/c1-9-5-3-6(7)2-4-8/h6,8H,2-5,7H2,1H3
InChIKey
AFTVPMMRLJNNNT-UHFFFAOYSA-N
Compound name
3-amino-5-methylsulfanylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08743 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09471 133.0
[M+Na]+ 172.07665 138.5
[M-H]- 148.08015 131.3
[M+NH4]+ 167.12125 153.5
[M+K]+ 188.05059 136.6
[M+H-H2O]+ 132.08469 127.8
[M+HCOO]- 194.08563 149.2
[M+CH3COO]- 208.10128 175.3
[M+Na-2H]- 170.06210 134.0
[M]+ 149.08688 133.3
[M]- 149.08798 133.3
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

No patent data available for this compound.