CID 113671

Carbamimidothioic acid, methyl-, 2-aminoethyl ester, dihydrobromide

Structural Information

Molecular Formula
C4H11N3S
SMILES
CN=C(N)SCCN
InChI
InChI=1S/C4H11N3S/c1-7-4(6)8-3-2-5/h2-3,5H2,1H3,(H2,6,7)
InChIKey
GAHPVJAEIDPDCX-UHFFFAOYSA-N
Compound name
2-aminoethyl N'-methylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

133.06737 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07465 126.7
[M+Na]+ 156.05659 132.6
[M-H]- 132.06009 127.5
[M+NH4]+ 151.10119 148.2
[M+K]+ 172.03053 131.4
[M+H-H2O]+ 116.06463 120.5
[M+HCOO]- 178.06557 147.6
[M+CH3COO]- 192.08122 179.4
[M+Na-2H]- 154.04204 129.2
[M]+ 133.06682 124.9
[M]- 133.06792 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe