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]+ 215.154276 149.6
[M+Na]+ 237.136218 158.3
[M-H]- 213.139724 155.2
[M+NH4]+ 232.180823 168.8
[M+K]+ 253.110158 153.9
[M+H-H2O]+ 197.144260 142.2
[M+HCOO]- 259.145201 174.0
[M+CH3COO]- 273.160851 192.1
[M+Na-2H]- 235.121666 152.5
[M]+ 214.14645142 149.6
[M]- 214.14754858 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.