CID 13121968

760898-91-7

Structural Information

Molecular Formula
C6H12N2S
SMILES
C1CCN(C1)CC(=S)N
InChI
InChI=1S/C6H12N2S/c7-6(9)5-8-3-1-2-4-8/h1-5H2,(H2,7,9)
InChIKey
QCKBBLGKMHPCSF-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

144.07211 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07939 131.1
[M+Na]+ 167.06133 137.3
[M-H]- 143.06483 132.6
[M+NH4]+ 162.10593 152.9
[M+K]+ 183.03527 135.5
[M+H-H2O]+ 127.06937 125.0
[M+HCOO]- 189.07031 147.4
[M+CH3COO]- 203.08596 173.7
[M+Na-2H]- 165.04678 131.2
[M]+ 144.07156 127.5
[M]- 144.07266 127.5
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