CID 12297984

60794-85-6

Structural Information

Molecular Formula
C12H14N2
SMILES
CNCC1=CC=CC=C1N2C=CC=C2
InChI
InChI=1S/C12H14N2/c1-13-10-11-6-2-3-7-12(11)14-8-4-5-9-14/h2-9,13H,10H2,1H3
InChIKey
GPAPQZCFXIJVQO-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-pyrrol-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 139.9
[M+Na]+ 209.10491 147.5
[M-H]- 185.10841 145.4
[M+NH4]+ 204.14951 159.8
[M+K]+ 225.07885 144.0
[M+H-H2O]+ 169.11295 132.3
[M+HCOO]- 231.11389 165.6
[M+CH3COO]- 245.12954 184.5
[M+Na-2H]- 207.09036 146.3
[M]+ 186.11514 139.3
[M]- 186.11624 139.3
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

No patent data available for this compound.