CID 3063441

Pseudourea, 2-(5-(isopropylamino)pentyl)-2-thio-, dihydrochloride

Structural Information

Molecular Formula
C9H21N3S
SMILES
CC(C)NCCCCCSC(=N)N
InChI
InChI=1S/C9H21N3S/c1-8(2)12-6-4-3-5-7-13-9(10)11/h8,12H,3-7H2,1-2H3,(H3,10,11)
InChIKey
VWEFLYFDGMYEPD-UHFFFAOYSA-N
Compound name
5-(propan-2-ylamino)pentyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14561 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15289 149.2
[M+Na]+ 226.13483 154.5
[M+NH4]+ 221.17943 156.0
[M+K]+ 242.10877 148.0
[M-H]- 202.13833 149.6
[M+Na-2H]- 224.12028 150.5
[M]+ 203.14506 150.0
[M]- 203.14616 150.0
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.