CID 58629066

1-(1h-pyrrol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C6H10N2
SMILES
CC(C1=CNC=C1)N
InChI
InChI=1S/C6H10N2/c1-5(7)6-2-3-8-4-6/h2-5,8H,7H2,1H3
InChIKey
RFBQAWJJJXBCSN-UHFFFAOYSA-N
Compound name
1-(1H-pyrrol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

110.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 122.3
[M+Na]+ 133.073618 129.3
[M-H]- 109.077124 122.9
[M+NH4]+ 128.118223 144.2
[M+K]+ 149.047558 127.5
[M+H-H2O]+ 93.081660 116.3
[M+HCOO]- 155.082601 145.1
[M+CH3COO]- 169.098251 167.3
[M+Na-2H]- 131.059066 127.3
[M]+ 110.08385142 117.9
[M]- 110.08494858 117.9
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