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]+ 128.052846 122.3
[M+Na]+ 150.034788 132.0
[M-H]- 126.038294 128.7
[M+NH4]+ 145.079393 142.4
[M+K]+ 166.008728 130.5
[M+H-H2O]+ 110.042830 117.2
[M+HCOO]- 172.043771 143.5
[M+CH3COO]- 186.059421 177.7
[M+Na-2H]- 148.020236 128.5
[M]+ 127.04502142 126.7
[M]- 127.04611858 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.