CID 113656

Usaf b-66

Structural Information

Molecular Formula
C9H21N3S
SMILES
CC(C)NC(=NC(C)C)SCCN
InChI
InChI=1S/C9H21N3S/c1-7(2)11-9(12-8(3)4)13-6-5-10/h7-8H,5-6,10H2,1-4H3,(H,11,12)
InChIKey
LBAZLYLNUXFFNZ-UHFFFAOYSA-N
Compound name
2-aminoethyl N,N'-di(propan-2-yl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14561 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15289 150.5
[M+Na]+ 226.13483 156.0
[M+NH4]+ 221.17943 157.5
[M+K]+ 242.10877 149.9
[M-H]- 202.13833 151.2
[M+Na-2H]- 224.12028 151.9
[M]+ 203.14506 151.4
[M]- 203.14616 151.4
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.