CID 5015827

Cyclopropyl(thiophen-2-yl)methanamine

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]+ 154.068496 123.4
[M+Na]+ 176.050438 132.3
[M-H]- 152.053944 130.8
[M+NH4]+ 171.095043 141.4
[M+K]+ 192.024378 129.3
[M+H-H2O]+ 136.058480 117.5
[M+HCOO]- 198.059421 143.8
[M+CH3COO]- 212.075071 179.3
[M+Na-2H]- 174.035886 126.0
[M]+ 153.06067142 124.9
[M]- 153.06176858 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