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

14
Patents

110.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 122.3
[M+Na]+ 133.07362 129.3
[M-H]- 109.07712 122.9
[M+NH4]+ 128.11822 144.2
[M+K]+ 149.04756 127.5
[M+H-H2O]+ 93.081660 116.3
[M+HCOO]- 155.08260 145.1
[M+CH3COO]- 169.09825 167.3
[M+Na-2H]- 131.05907 127.3
[M]+ 110.08385 117.9
[M]- 110.08495 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