CID 55219589

1-isothiocyanato-1-methylcyclopropane

Structural Information

Molecular Formula
C5H7NS
SMILES
CC1(CC1)N=C=S
InChI
InChI=1S/C5H7NS/c1-5(2-3-5)6-4-7/h2-3H2,1H3
InChIKey
IXYSVTWPQJMXGP-UHFFFAOYSA-N
Compound name
1-isothiocyanato-1-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

113.02992 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03720 124.7
[M+Na]+ 136.01914 136.9
[M+NH4]+ 131.06374 136.1
[M+K]+ 151.99308 128.4
[M-H]- 112.02264 134.1
[M+Na-2H]- 134.00459 134.4
[M]+ 113.02937 130.7
[M]- 113.03047 130.7
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

patents stripe