CID 15611175

[1-(thiophen-2-yl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CC1(CN)C2=CC=CS2
InChI
InChI=1S/C8H11NS/c9-6-8(3-4-8)7-2-1-5-10-7/h1-2,5H,3-4,6,9H2
InChIKey
ZDLQKYNEHHPKBK-UHFFFAOYSA-N
Compound name
(1-thiophen-2-ylcyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

153.06122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 123.8
[M+Na]+ 176.050438 133.6
[M-H]- 152.053944 131.3
[M+NH4]+ 171.095043 143.6
[M+K]+ 192.024378 131.0
[M+H-H2O]+ 136.058480 118.9
[M+HCOO]- 198.059421 144.7
[M+CH3COO]- 212.075071 138.2
[M+Na-2H]- 174.035886 128.6
[M]+ 153.06067142 126.3
[M]- 153.06176858 126.3
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