CID 105698047

1-(isothiocyanatomethyl)-1-methylcyclopropane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 122.3
[M+Na]+ 150.03479 132.0
[M-H]- 126.03829 128.7
[M+NH4]+ 145.07939 142.4
[M+K]+ 166.00873 130.5
[M+H-H2O]+ 110.04283 117.2
[M+HCOO]- 172.04377 143.5
[M+CH3COO]- 186.05942 177.7
[M+Na-2H]- 148.02024 128.5
[M]+ 127.04502 126.7
[M]- 127.04612 126.7
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.