CID 139597635

Ns00000910

Structural Information

Molecular Formula
C7H11NOS
SMILES
CNCC1=CC=C(O1)CS
InChI
InChI=1S/C7H11NOS/c1-8-4-6-2-3-7(5-10)9-6/h2-3,8,10H,4-5H2,1H3
InChIKey
WHROYONTXPUZLH-UHFFFAOYSA-N
Compound name
[5-(methylaminomethyl)furan-2-yl]methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.05614 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 131.0
[M+Na]+ 180.045358 139.8
[M-H]- 156.048864 136.0
[M+NH4]+ 175.089963 153.2
[M+K]+ 196.019298 139.0
[M+H-H2O]+ 140.053400 125.9
[M+HCOO]- 202.054341 152.1
[M+CH3COO]- 216.069991 177.1
[M+Na-2H]- 178.030806 135.1
[M]+ 157.05559142 134.8
[M]- 157.05668858 134.8
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.