CID 21155956

44816-46-8

Structural Information

Molecular Formula
C6H14N2S
SMILES
CCC(C)CSC(=N)N
InChI
InChI=1S/C6H14N2S/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKey
PMVJDZJKRFHGST-UHFFFAOYSA-N
Compound name
2-methylbutyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.08777 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09505 133.0
[M+Na]+ 169.07699 138.2
[M-H]- 145.08049 132.7
[M+NH4]+ 164.12159 153.9
[M+K]+ 185.05093 136.6
[M+H-H2O]+ 129.08503 127.3
[M+HCOO]- 191.08597 150.5
[M+CH3COO]- 205.10162 180.1
[M+Na-2H]- 167.06244 133.5
[M]+ 146.08722 131.4
[M]- 146.08832 131.4
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.