CID 474252

(3-methylthiiran-2-yl)methanethiol

Structural Information

Molecular Formula
C4H8S2
SMILES
CC1C(S1)CS
InChI
InChI=1S/C4H8S2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3
InChIKey
LIDMJZCLMTZXOE-UHFFFAOYSA-N
Compound name
(3-methylthiiran-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

120.006744 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.01402 112.5
[M+Na]+ 142.99596 122.7
[M-H]- 118.99947 117.5
[M+NH4]+ 138.04057 131.0
[M+K]+ 158.96990 120.1
[M+H-H2O]+ 103.00400 106.8
[M+HCOO]- 165.00494 126.2
[M+CH3COO]- 179.02060 173.8
[M+Na-2H]- 140.98141 114.8
[M]+ 120.00620 117.0
[M]- 120.00729 117.0
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