CID 3041852

Brn 2241374

Structural Information

Molecular Formula
C5H13N3S2
SMILES
C(CNCCNC(=S)S)N
InChI
InChI=1S/C5H13N3S2/c6-1-2-7-3-4-8-5(9)10/h7H,1-4,6H2,(H2,8,9,10)
InChIKey
SMTUSTPVPICTCO-UHFFFAOYSA-N
Compound name
2-(2-aminoethylamino)ethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

179.05508 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06236 134.4
[M+Na]+ 202.04430 139.2
[M-H]- 178.04780 133.4
[M+NH4]+ 197.08890 153.4
[M+K]+ 218.01824 135.0
[M+H-H2O]+ 162.05234 127.7
[M+HCOO]- 224.05328 147.7
[M+CH3COO]- 238.06893 186.1
[M+Na-2H]- 200.02975 135.1
[M]+ 179.05453 132.8
[M]- 179.05563 132.8
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

patents stripe