CID 5015827

473732-80-8

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CC1C(C2=CC=CS2)N
InChI
InChI=1S/C8H11NS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8H,3-4,9H2
InChIKey
AAQQXHHWWFZBRH-UHFFFAOYSA-N
Compound name
cyclopropyl(thiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

153.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 123.4
[M+Na]+ 176.05044 132.3
[M-H]- 152.05394 130.8
[M+NH4]+ 171.09504 141.4
[M+K]+ 192.02438 129.3
[M+H-H2O]+ 136.05848 117.5
[M+HCOO]- 198.05942 143.8
[M+CH3COO]- 212.07507 179.3
[M+Na-2H]- 174.03589 126.0
[M]+ 153.06067 124.9
[M]- 153.06177 124.9
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