CID 10909614

5-sulfanylpentanoic acid

Structural Information

Molecular Formula
C5H10O2S
SMILES
C(CCS)CC(=O)O
InChI
InChI=1S/C5H10O2S/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H,6,7)
InChIKey
GCIZMJUHGHGRNW-UHFFFAOYSA-N
Compound name
5-sulfanylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

925
Patents

134.04015 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04743 126.4
[M+Na]+ 157.02937 133.5
[M-H]- 133.03287 125.6
[M+NH4]+ 152.07397 148.1
[M+K]+ 173.00331 132.3
[M+H-H2O]+ 117.03741 121.9
[M+HCOO]- 179.03835 143.1
[M+CH3COO]- 193.05400 169.2
[M+Na-2H]- 155.01482 128.7
[M]+ 134.03960 129.0
[M]- 134.04070 129.0
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