CID 208693

32854-94-7

Structural Information

Molecular Formula
C14H17ClN2
SMILES
CC1=C(C=CC(=C1)Cl)N(CC=C)C2=NCCC2
InChI
InChI=1S/C14H17ClN2/c1-3-9-17(14-5-4-8-16-14)13-7-6-12(15)10-11(13)2/h3,6-7,10H,1,4-5,8-9H2,2H3
InChIKey
SISQKQVVZHLBJI-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-N-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10803 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11531 157.2
[M+Na]+ 271.09725 170.6
[M+NH4]+ 266.14185 166.4
[M+K]+ 287.07119 163.8
[M-H]- 247.10075 161.7
[M+Na-2H]- 269.08270 165.1
[M]+ 248.10748 160.7
[M]- 248.10858 160.7
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.