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 150.8
[M+Na]+ 226.13483 154.2
[M-H]- 202.13833 151.4
[M+NH4]+ 221.17943 169.9
[M+K]+ 242.10877 153.2
[M+H-H2O]+ 186.14287 143.8
[M+HCOO]- 248.14381 168.7
[M+CH3COO]- 262.15946 196.3
[M+Na-2H]- 224.12028 149.5
[M]+ 203.14506 150.6
[M]- 203.14616 150.6
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.