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]+ 144.04776 126.6
[M+Na]+ 166.02970 136.2
[M-H]- 142.03320 132.8
[M+NH4]+ 161.07430 145.9
[M+K]+ 182.00364 134.9
[M+H-H2O]+ 126.03774 121.4
[M+HCOO]- 188.03868 147.9
[M+CH3COO]- 202.05433 179.5
[M+Na-2H]- 164.01515 132.8
[M]+ 143.03993 132.3
[M]- 143.04103 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