CID 45496703

1177271-09-8

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1=CC(=C(N1CC2=CC=CC=C2)C)CN
InChI
InChI=1S/C14H18N2/c1-11-8-14(9-15)12(2)16(11)10-13-6-4-3-5-7-13/h3-8H,9-10,15H2,1-2H3
InChIKey
GBLVMFFJGRFAAB-UHFFFAOYSA-N
Compound name
(1-benzyl-2,5-dimethylpyrrol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 150.5
[M+Na]+ 237.13622 163.8
[M+NH4]+ 232.18082 159.4
[M+K]+ 253.11016 157.8
[M-H]- 213.13972 155.1
[M+Na-2H]- 235.12167 158.4
[M]+ 214.14645 153.7
[M]- 214.14755 153.7
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.