CID 3039631

50901-98-9

Structural Information

Molecular Formula
C11H13ClN2
SMILES
CC1C(CC(=N1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2/c1-7-10(6-11(13)14-7)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3,(H2,13,14)
InChIKey
XBIFKZWFLHMKQC-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07672 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08400 144.2
[M+Na]+ 231.06594 158.0
[M+NH4]+ 226.11054 153.7
[M+K]+ 247.03988 152.0
[M-H]- 207.06944 148.6
[M+Na-2H]- 229.05139 152.1
[M]+ 208.07617 147.7
[M]- 208.07727 147.7
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.