CID 4713208

Cyclopropylmethanethiol

Structural Information

Molecular Formula
C4H8S
SMILES
C1CC1CS
InChI
InChI=1S/C4H8S/c5-3-4-1-2-4/h4-5H,1-3H2
InChIKey
JDMINEJTNOBFFD-UHFFFAOYSA-N
Compound name
cyclopropylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

699
Patents

88.03467 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.041946 116.2
[M+Na]+ 111.02389 129.0
[M+NH4]+ 106.06849 127.1
[M+K]+ 126.99783 122.4
[M-H]- 87.027394 125.2
[M+Na-2H]- 109.00934 124.5
[M]+ 88.034121 122.1
[M]- 88.035219 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe