CID 116190927

1-isothiocyanato-1-methylcyclobutane

Structural Information

Molecular Formula
C6H9NS
SMILES
CC1(CCC1)N=C=S
InChI
InChI=1S/C6H9NS/c1-6(7-5-8)3-2-4-6/h2-4H2,1H3
InChIKey
RVKJUDYTCHFOGH-UHFFFAOYSA-N
Compound name
1-isothiocyanato-1-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

127.04557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 122.8
[M+Na]+ 150.03479 128.7
[M+NH4]+ 145.07939 129.8
[M+K]+ 166.00873 121.0
[M-H]- 126.03829 122.7
[M+Na-2H]- 148.02024 127.5
[M]+ 127.04502 122.9
[M]- 127.04612 122.9
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