CID 707327

2-(1-pyrrolyl)benzylamine

Structural Information

Molecular Formula
C11H12N2
SMILES
C1=CC=C(C(=C1)CN)N2C=CC=C2
InChI
InChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H,9,12H2
InChIKey
BNDYBXDAGIQWOB-UHFFFAOYSA-N
Compound name
(2-pyrrol-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

172.10005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 137.2
[M+Na]+ 195.08927 150.3
[M+NH4]+ 190.13387 146.6
[M+K]+ 211.06321 144.7
[M-H]- 171.09277 141.7
[M+Na-2H]- 193.07472 146.4
[M]+ 172.09950 140.3
[M]- 172.10060 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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