CID 15209271

39854-54-1

Structural Information

Molecular Formula
C5H7NOS
SMILES
C1=CSC(=C1)CON
InChI
InChI=1S/C5H7NOS/c6-7-4-5-2-1-3-8-5/h1-3H,4,6H2
InChIKey
IBRFQKKMRBKIFY-UHFFFAOYSA-N
Compound name
O-(thiophen-2-ylmethyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

129.02484 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 122.6
[M+Na]+ 152.014058 131.2
[M-H]- 128.017564 126.4
[M+NH4]+ 147.058663 146.5
[M+K]+ 167.987998 129.6
[M+H-H2O]+ 112.022100 117.4
[M+HCOO]- 174.023041 144.5
[M+CH3COO]- 188.038691 169.4
[M+Na-2H]- 149.999506 126.4
[M]+ 129.02429142 123.7
[M]- 129.02538858 123.7
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