CID 113695

63680-43-3

Structural Information

Molecular Formula
C8H19N3S
SMILES
CCCC(CN(C)C)SC(=N)N
InChI
InChI=1S/C8H19N3S/c1-4-5-7(6-11(2)3)12-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKey
IHTHERIQOYUXEH-UHFFFAOYSA-N
Compound name
1-(dimethylamino)pentan-2-yl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.12997 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13725 146.0
[M+Na]+ 212.11919 149.6
[M-H]- 188.12269 146.7
[M+NH4]+ 207.16379 165.3
[M+K]+ 228.09313 148.8
[M+H-H2O]+ 172.12723 139.1
[M+HCOO]- 234.12817 164.1
[M+CH3COO]- 248.14382 194.6
[M+Na-2H]- 210.10464 145.2
[M]+ 189.12942 145.5
[M]- 189.13052 145.5
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

No patent data available for this compound.