CID 736540

4-(1h-pyrrol-1-yl)benzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

172.10005 Da
Monoisotopic Mass

1.9
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.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe