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

1242
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 111.1
[M+Na]+ 111.02389 120.9
[M-H]- 87.027394 116.3
[M+NH4]+ 106.06849 130.6
[M+K]+ 126.99783 119.7
[M+H-H2O]+ 71.031930 105.6
[M+HCOO]- 133.03287 130.7
[M+CH3COO]- 147.04852 167.8
[M+Na-2H]- 109.00934 116.4
[M]+ 88.034121 114.7
[M]- 88.035219 114.7
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