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

77
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 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

No literature data available for this compound.

Patent stripe

patents stripe