CID 132086211

1-isothiocyanato-1-(methoxymethyl)cyclopropane

Structural Information

Molecular Formula
C6H9NOS
SMILES
COCC1(CC1)N=C=S
InChI
InChI=1S/C6H9NOS/c1-8-4-6(2-3-6)7-5-9/h2-4H2,1H3
InChIKey
UUMZXGCPXSOGBU-UHFFFAOYSA-N
Compound name
1-isothiocyanato-1-(methoxymethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

143.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 126.6
[M+Na]+ 166.029698 136.2
[M-H]- 142.033204 132.8
[M+NH4]+ 161.074303 145.9
[M+K]+ 182.003638 134.9
[M+H-H2O]+ 126.037740 121.4
[M+HCOO]- 188.038681 147.9
[M+CH3COO]- 202.054331 179.5
[M+Na-2H]- 164.015146 132.8
[M]+ 143.03993142 132.3
[M]- 143.04102858 132.3
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