CID 4585582

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

Structural Information

Molecular Formula
C7H12N2
SMILES
C1=CN(C=C1)CCCN
InChI
InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7-8H2
InChIKey
CNRYJJXBFLHSJP-UHFFFAOYSA-N
Compound name
3-pyrrol-1-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

124.10005 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 125.3
[M+Na]+ 147.08927 132.6
[M-H]- 123.09277 127.0
[M+NH4]+ 142.13387 147.5
[M+K]+ 163.06321 131.0
[M+H-H2O]+ 107.09731 118.8
[M+HCOO]- 169.09825 150.4
[M+CH3COO]- 183.11390 172.2
[M+Na-2H]- 145.07472 131.6
[M]+ 124.09950 123.9
[M]- 124.10060 123.9
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