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]+ 148.09030 130.8
[M+Na]+ 170.07224 135.8
[M-H]- 146.07574 130.4
[M+NH4]+ 165.11684 151.2
[M+K]+ 186.04618 133.7
[M+H-H2O]+ 130.08028 124.6
[M+HCOO]- 192.08122 150.5
[M+CH3COO]- 206.09687 181.2
[M+Na-2H]- 168.05769 133.4
[M]+ 147.08247 128.6
[M]- 147.08357 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.