CID 736540

(4-pyrrol-1-ylphenyl)methanamine

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

85
Patents

172.10005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 135.7
[M+Na]+ 195.089268 143.7
[M-H]- 171.092774 140.9
[M+NH4]+ 190.133873 155.9
[M+K]+ 211.063208 140.2
[M+H-H2O]+ 155.097310 128.3
[M+HCOO]- 217.098251 161.1
[M+CH3COO]- 231.113901 149.4
[M+Na-2H]- 193.074716 141.7
[M]+ 172.09950142 133.8
[M]- 172.10059858 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

No literature data available for this compound.

Patent stripe

patents stripe