CID 20983254

(2,5-dimethyl-1-phenyl-1h-pyrrol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)CN
InChI
InChI=1S/C13H16N2/c1-10-8-12(9-14)11(2)15(10)13-6-4-3-5-7-13/h3-8H,9,14H2,1-2H3
InChIKey
KYEWCCAPMWWTDQ-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-1-phenylpyrrol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 145.0
[M+Na]+ 223.12057 154.1
[M-H]- 199.12407 150.7
[M+NH4]+ 218.16517 164.8
[M+K]+ 239.09451 150.0
[M+H-H2O]+ 183.12861 137.8
[M+HCOO]- 245.12955 169.7
[M+CH3COO]- 259.14520 189.1
[M+Na-2H]- 221.10602 148.4
[M]+ 200.13080 144.6
[M]- 200.13190 144.6
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.