CID 2775486

2302-84-3

Structural Information

Molecular Formula
C2H5N3OS
SMILES
C(=O)NNC(=S)N
InChI
InChI=1S/C2H5N3OS/c3-2(7)5-4-1-6/h1H,(H,4,6)(H3,3,5,7)
InChIKey
KSKPFCYLLBRSBQ-UHFFFAOYSA-N
Compound name
N-(carbamothioylamino)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

119.015335 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02261 119.9
[M+Na]+ 142.00455 126.3
[M-H]- 118.00806 120.0
[M+NH4]+ 137.04916 141.2
[M+K]+ 157.97849 124.8
[M+H-H2O]+ 102.01260 114.1
[M+HCOO]- 164.01354 140.9
[M+CH3COO]- 178.02919 173.3
[M+Na-2H]- 139.99000 124.0
[M]+ 119.01479 117.3
[M]- 119.01588 117.3
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