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]+ 154.06850 123.6
[M+Na]+ 176.05044 132.9
[M-H]- 152.05394 131.4
[M+NH4]+ 171.09504 141.9
[M+K]+ 192.02438 129.9
[M+H-H2O]+ 136.05848 117.6
[M+HCOO]- 198.05942 145.6
[M+CH3COO]- 212.07507 179.2
[M+Na-2H]- 174.03589 128.2
[M]+ 153.06067 126.6
[M]- 153.06177 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