CID 55265879

3-(1h-pyrrol-2-yl)propan-1-amine

Structural Information

Molecular Formula
C7H12N2
SMILES
C1=CNC(=C1)CCCN
InChI
InChI=1S/C7H12N2/c8-5-1-3-7-4-2-6-9-7/h2,4,6,9H,1,3,5,8H2
InChIKey
ZRCAHGVDEKPRSE-UHFFFAOYSA-N
Compound name
3-(1H-pyrrol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

124.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 125.8
[M+Na]+ 147.08927 132.7
[M-H]- 123.09277 126.1
[M+NH4]+ 142.13387 147.3
[M+K]+ 163.06321 130.2
[M+H-H2O]+ 107.09731 119.6
[M+HCOO]- 169.09825 149.4
[M+CH3COO]- 183.11390 169.5
[M+Na-2H]- 145.07472 131.6
[M]+ 124.09950 122.5
[M]- 124.10060 122.5
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