CID 21155956

Carbamimidothioic acid, 2-methylbutyl ester

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]+ 147.095046 133.0
[M+Na]+ 169.076988 138.2
[M-H]- 145.080494 132.7
[M+NH4]+ 164.121593 153.9
[M+K]+ 185.050928 136.6
[M+H-H2O]+ 129.085030 127.3
[M+HCOO]- 191.085971 150.5
[M+CH3COO]- 205.101621 180.1
[M+Na-2H]- 167.062436 133.5
[M]+ 146.08722142 131.4
[M]- 146.08831858 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.