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]+ 209.083996 145.6
[M+Na]+ 231.065938 155.2
[M-H]- 207.069444 150.9
[M+NH4]+ 226.110543 165.7
[M+K]+ 247.039878 149.9
[M+H-H2O]+ 191.073980 139.1
[M+HCOO]- 253.074921 164.8
[M+CH3COO]- 267.090571 158.9
[M+Na-2H]- 229.051386 148.3
[M]+ 208.07617142 144.9
[M]- 208.07726858 144.9
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.