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

19
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 118.3
[M+Na]+ 136.01914 128.4
[M-H]- 112.02264 124.8
[M+NH4]+ 131.06374 138.8
[M+K]+ 151.99308 127.1
[M+H-H2O]+ 96.027180 113.4
[M+HCOO]- 158.02812 139.8
[M+CH3COO]- 172.04377 174.8
[M+Na-2H]- 134.00459 124.9
[M]+ 113.02937 122.3
[M]- 113.03047 122.3
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