CID 57349839

Zobfjdjprvlpiq-uhfffaoysa-n

Structural Information

Molecular Formula
C6H13N3S
SMILES
CCSC(=NN=C(C)C)N
InChI
InChI=1S/C6H13N3S/c1-4-10-6(7)9-8-5(2)3/h4H2,1-3H3,(H2,7,9)
InChIKey
ZOBFJDJPRVLPIQ-UHFFFAOYSA-N
Compound name
ethyl N'-(propan-2-ylideneamino)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08302 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.090296 135.5
[M+Na]+ 182.072238 141.2
[M-H]- 158.075744 138.2
[M+NH4]+ 177.116843 157.0
[M+K]+ 198.046178 140.7
[M+H-H2O]+ 142.080280 128.9
[M+HCOO]- 204.081221 157.1
[M+CH3COO]- 218.096871 188.0
[M+Na-2H]- 180.057686 137.4
[M]+ 159.08247142 136.1
[M]- 159.08356858 136.1
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.