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]+ 128.052846 124.1
[M+Na]+ 150.034788 129.2
[M-H]- 126.038294 127.1
[M+NH4]+ 145.079393 139.4
[M+K]+ 166.008728 129.9
[M+H-H2O]+ 110.042830 113.1
[M+HCOO]- 172.043771 140.1
[M+CH3COO]- 186.059421 176.8
[M+Na-2H]- 148.020236 124.5
[M]+ 127.04502142 129.5
[M]- 127.04611858 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