CID 94556777

2866317-21-5

Structural Information

Molecular Formula
C8H11NS
SMILES
C1[C@H]([C@@H]1C2=CSC=C2)CN
InChI
InChI=1S/C8H11NS/c9-4-7-3-8(7)6-1-2-10-5-6/h1-2,5,7-8H,3-4,9H2/t7-,8-/m0/s1
InChIKey
ZVUHVWYTQNSLTB-YUMQZZPRSA-N
Compound name
[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06122 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 123.1
[M+Na]+ 176.050438 133.1
[M-H]- 152.053944 130.7
[M+NH4]+ 171.095043 141.4
[M+K]+ 192.024378 129.6
[M+H-H2O]+ 136.058480 117.3
[M+HCOO]- 198.059421 144.3
[M+CH3COO]- 212.075071 179.6
[M+Na-2H]- 174.035886 126.1
[M]+ 153.06067142 125.5
[M]- 153.06176858 125.5
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

No patent data available for this compound.