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]+ 158.063416 130.6
[M+Na]+ 180.045358 139.8
[M-H]- 156.048864 136.7
[M+NH4]+ 175.089963 149.4
[M+K]+ 196.019298 138.2
[M+H-H2O]+ 140.053400 125.2
[M+HCOO]- 202.054341 151.7
[M+CH3COO]- 216.069991 182.4
[M+Na-2H]- 178.030806 136.3
[M]+ 157.05559142 136.7
[M]- 157.05668858 136.7
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.