CID 2763816

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

Structural Information

Molecular Formula
C6H10N2
SMILES
C1=CN(C=C1)CCN
InChI
InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6-7H2
InChIKey
HPDIRFBJYSOVKW-UHFFFAOYSA-N
Compound name
2-pyrrol-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

441
Patents

110.0844 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 120.7
[M+Na]+ 133.07362 128.4
[M-H]- 109.07712 122.5
[M+NH4]+ 128.11822 143.4
[M+K]+ 149.04756 127.1
[M+H-H2O]+ 93.081660 114.4
[M+HCOO]- 155.08260 146.1
[M+CH3COO]- 169.09825 169.1
[M+Na-2H]- 131.05907 127.5
[M]+ 110.08385 118.9
[M]- 110.08495 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe