CID 73994797

1-(isocyanatomethyl)-1-[(methylsulfanyl)methyl]cyclopropane

Structural Information

Molecular Formula
C7H11NOS
SMILES
CSCC1(CC1)CN=C=O
InChI
InChI=1S/C7H11NOS/c1-10-5-7(2-3-7)4-8-6-9/h2-5H2,1H3
InChIKey
HATPMUMFCXPTJL-UHFFFAOYSA-N
Compound name
1-(isocyanatomethyl)-1-(methylsulfanylmethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.05614 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 135.7
[M+Na]+ 180.04536 147.0
[M+NH4]+ 175.08996 146.3
[M+K]+ 196.01930 138.6
[M-H]- 156.04886 144.4
[M+Na-2H]- 178.03081 144.5
[M]+ 157.05559 141.4
[M]- 157.05669 141.4
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.