CID 22498745

19313-32-7

Structural Information

Molecular Formula
C7H11NOS
SMILES
CNCC(C1=CC=CS1)O
InChI
InChI=1S/C7H11NOS/c1-8-5-6(9)7-3-2-4-10-7/h2-4,6,8-9H,5H2,1H3
InChIKey
XTHAXDJGOOPGGX-UHFFFAOYSA-N
Compound name
2-(methylamino)-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

157.05614 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 132.6
[M+Na]+ 180.04536 139.5
[M-H]- 156.04886 135.1
[M+NH4]+ 175.08996 154.8
[M+K]+ 196.01930 137.3
[M+H-H2O]+ 140.05340 127.2
[M+HCOO]- 202.05434 151.8
[M+CH3COO]- 216.06999 174.3
[M+Na-2H]- 178.03081 134.8
[M]+ 157.05559 132.9
[M]- 157.05669 132.9
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