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 130.6
[M+Na]+ 180.04536 139.8
[M-H]- 156.04886 136.7
[M+NH4]+ 175.08996 149.4
[M+K]+ 196.01930 138.2
[M+H-H2O]+ 140.05340 125.2
[M+HCOO]- 202.05434 151.7
[M+CH3COO]- 216.06999 182.4
[M+Na-2H]- 178.03081 136.3
[M]+ 157.05559 136.7
[M]- 157.05669 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.