CID 135122237

3-methylidenecyclobutane-1-carbothioamide

Structural Information

Molecular Formula
C6H9NS
SMILES
C=C1CC(C1)C(=S)N
InChI
InChI=1S/C6H9NS/c1-4-2-5(3-4)6(7)8/h5H,1-3H2,(H2,7,8)
InChIKey
MQKVHCSNAKWLGE-UHFFFAOYSA-N
Compound name
3-methylidenecyclobutane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

127.04557 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 124.1
[M+Na]+ 150.03479 129.2
[M-H]- 126.03829 127.1
[M+NH4]+ 145.07939 139.4
[M+K]+ 166.00873 129.9
[M+H-H2O]+ 110.04283 113.1
[M+HCOO]- 172.04377 140.1
[M+CH3COO]- 186.05942 176.8
[M+Na-2H]- 148.02024 124.5
[M]+ 127.04502 129.5
[M]- 127.04612 129.5
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

patents stripe