CID 120824

Noname_3219

Structural Information

Molecular Formula
C7H11N3S2
SMILES
CN(C)CC(CSC#N)SC#N
InChI
InChI=1S/C7H11N3S2/c1-10(2)3-7(12-6-9)4-11-5-8/h7H,3-4H2,1-2H3
InChIKey
BBTGNBWDYMCHGL-UHFFFAOYSA-N
Compound name
[1-(dimethylamino)-3-thiocyanatopropan-2-yl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.03944 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.046716 158.2
[M+Na]+ 224.028658 166.4
[M-H]- 200.032164 162.6
[M+NH4]+ 219.073263 171.9
[M+K]+ 240.002598 166.9
[M+H-H2O]+ 184.036700 143.6
[M+HCOO]- 246.037641 163.3
[M+CH3COO]- 260.053291 219.9
[M+Na-2H]- 222.014106 157.0
[M]+ 201.03889142 153.5
[M]- 201.03998858 153.5
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

patents stripe