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 149.6
[M+Na]+ 237.13622 158.3
[M-H]- 213.13972 155.2
[M+NH4]+ 232.18082 168.8
[M+K]+ 253.11016 153.9
[M+H-H2O]+ 197.14426 142.2
[M+HCOO]- 259.14520 174.0
[M+CH3COO]- 273.16085 192.1
[M+Na-2H]- 235.12167 152.5
[M]+ 214.14645 149.6
[M]- 214.14755 149.6
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.