CID 4723868

N-(thiophen-3-ylmethyl)cyclopropanamine

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CC1NCC2=CSC=C2
InChI
InChI=1S/C8H11NS/c1-2-8(1)9-5-7-3-4-10-6-7/h3-4,6,8-9H,1-2,5H2
InChIKey
ZRAZEIFZGQCHCF-UHFFFAOYSA-N
Compound name
N-(thiophen-3-ylmethyl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 123.6
[M+Na]+ 176.050438 132.9
[M-H]- 152.053944 131.4
[M+NH4]+ 171.095043 141.9
[M+K]+ 192.024378 129.9
[M+H-H2O]+ 136.058480 117.6
[M+HCOO]- 198.059421 145.6
[M+CH3COO]- 212.075071 179.2
[M+Na-2H]- 174.035886 128.2
[M]+ 153.06067142 126.6
[M]- 153.06176858 126.6
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