CID 216941

37914-75-3

Structural Information

Molecular Formula
C5H13N3S
SMILES
CCNCCSC(=N)N
InChI
InChI=1S/C5H13N3S/c1-2-8-3-4-9-5(6)7/h8H,2-4H2,1H3,(H3,6,7)
InChIKey
XXZRHUWDNFDIGZ-UHFFFAOYSA-N
Compound name
2-(ethylamino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08302 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.090296 130.8
[M+Na]+ 170.072238 135.8
[M-H]- 146.075744 130.4
[M+NH4]+ 165.116843 151.2
[M+K]+ 186.046178 133.7
[M+H-H2O]+ 130.080280 124.6
[M+HCOO]- 192.081221 150.5
[M+CH3COO]- 206.096871 181.2
[M+Na-2H]- 168.057686 133.4
[M]+ 147.08247142 128.6
[M]- 147.08356858 128.6
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.