CID 66404226

2-(1-ethyl-1h-pyrrol-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C8H14N2
SMILES
CCN1C=CC=C1CCN
InChI
InChI=1S/C8H14N2/c1-2-10-7-3-4-8(10)5-6-9/h3-4,7H,2,5-6,9H2,1H3
InChIKey
UZHJWWNKUFBJHO-UHFFFAOYSA-N
Compound name
2-(1-ethylpyrrol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

138.11569 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 129.8
[M+Na]+ 161.104908 137.6
[M-H]- 137.108414 131.7
[M+NH4]+ 156.149513 151.7
[M+K]+ 177.078848 135.8
[M+H-H2O]+ 121.112950 123.4
[M+HCOO]- 183.113891 154.5
[M+CH3COO]- 197.129541 176.3
[M+Na-2H]- 159.090356 134.8
[M]+ 138.11514142 129.1
[M]- 138.11623858 129.1
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