CID 105009

135467-92-4

Structural Information

Molecular Formula
C5H9NS2
SMILES
C1C[C@H](NC1)C(=S)S
InChI
InChI=1S/C5H9NS2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey
NOQMBGVHFWMDIE-BYPYZUCNSA-N
Compound name
(2S)-pyrrolidine-2-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

427
References

42
Patents

147.01764 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.02492 128.5
[M+Na]+ 170.00686 136.0
[M-H]- 146.01036 129.2
[M+NH4]+ 165.05146 150.3
[M+K]+ 185.98080 132.7
[M+H-H2O]+ 130.01490 123.6
[M+HCOO]- 192.01584 137.6
[M+CH3COO]- 206.03149 169.2
[M+Na-2H]- 167.99231 126.8
[M]+ 147.01709 125.6
[M]- 147.01819 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe