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]+ 154.06850 123.1
[M+Na]+ 176.05044 133.1
[M-H]- 152.05394 130.7
[M+NH4]+ 171.09504 141.4
[M+K]+ 192.02438 129.6
[M+H-H2O]+ 136.05848 117.3
[M+HCOO]- 198.05942 144.3
[M+CH3COO]- 212.07507 179.6
[M+Na-2H]- 174.03589 126.1
[M]+ 153.06067 125.5
[M]- 153.06177 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.