CID 2776533

3-(1h-pyrrol-1-yl)benzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
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 135.7
[M+Na]+ 195.08927 143.7
[M-H]- 171.09277 140.9
[M+NH4]+ 190.13387 155.9
[M+K]+ 211.06321 140.2
[M+H-H2O]+ 155.09731 128.3
[M+HCOO]- 217.09825 161.1
[M+CH3COO]- 231.11390 149.4
[M+Na-2H]- 193.07472 141.7
[M]+ 172.09950 133.8
[M]- 172.10060 133.8
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