CID 116326

64039-19-6

Structural Information

Molecular Formula
C7H15N3S
SMILES
C1CCN(C1)CCSC(=N)N
InChI
InChI=1S/C7H15N3S/c8-7(9)11-6-5-10-3-1-2-4-10/h1-6H2,(H3,8,9)
InChIKey
ROTSZODIEPBOLI-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.09866 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10594 138.5
[M+Na]+ 196.08788 143.3
[M-H]- 172.09138 139.6
[M+NH4]+ 191.13248 158.7
[M+K]+ 212.06182 141.0
[M+H-H2O]+ 156.09592 131.6
[M+HCOO]- 218.09686 155.4
[M+CH3COO]- 232.11251 180.9
[M+Na-2H]- 194.07333 138.7
[M]+ 173.09811 134.3
[M]- 173.09921 134.3
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.