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 145.6
[M+Na]+ 231.06594 155.2
[M-H]- 207.06944 150.9
[M+NH4]+ 226.11054 165.7
[M+K]+ 247.03988 149.9
[M+H-H2O]+ 191.07398 139.1
[M+HCOO]- 253.07492 164.8
[M+CH3COO]- 267.09057 158.9
[M+Na-2H]- 229.05139 148.3
[M]+ 208.07617 144.9
[M]- 208.07727 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.