CID 45934288

879514-92-8

Structural Information

Molecular Formula
C6H13NOS
SMILES
C1CSCCC1(CN)O
InChI
InChI=1S/C6H13NOS/c7-5-6(8)1-3-9-4-2-6/h8H,1-5,7H2
InChIKey
MDACFHKAMLKPSK-UHFFFAOYSA-N
Compound name
4-(aminomethyl)thian-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

147.0718 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 129.4
[M+Na]+ 170.06102 134.5
[M-H]- 146.06452 130.5
[M+NH4]+ 165.10562 151.6
[M+K]+ 186.03496 132.4
[M+H-H2O]+ 130.06906 124.9
[M+HCOO]- 192.07000 144.2
[M+CH3COO]- 206.08565 170.3
[M+Na-2H]- 168.04647 133.1
[M]+ 147.07125 124.2
[M]- 147.07235 124.2
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