CID 61777137

2913244-26-3

Structural Information

Molecular Formula
C9H13NS
SMILES
C1CC(C1)NCC2=CC=CS2
InChI
InChI=1S/C9H13NS/c1-3-8(4-1)10-7-9-5-2-6-11-9/h2,5-6,8,10H,1,3-4,7H2
InChIKey
OJKQVPOUUMPMLQ-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)cyclobutanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08415 128.7
[M+Na]+ 190.06609 133.4
[M-H]- 166.06959 135.1
[M+NH4]+ 185.11069 144.5
[M+K]+ 206.04003 134.0
[M+H-H2O]+ 150.07413 117.2
[M+HCOO]- 212.07507 148.0
[M+CH3COO]- 226.09072 181.8
[M+Na-2H]- 188.05154 131.5
[M]+ 167.07632 136.6
[M]- 167.07742 136.6
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

No patent data available for this compound.