CID 59030454

3-(2-methylphenyl)-2,5-dihydro-1h-pyrrole hydrochloride

Structural Information

Molecular Formula
C11H13N
SMILES
CC1=CC=CC=C1C2=CCNC2
InChI
InChI=1S/C11H13N/c1-9-4-2-3-5-11(9)10-6-7-12-8-10/h2-6,12H,7-8H2,1H3
InChIKey
PNSOVQAWTULGDC-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2,5-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

159.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 133.8
[M+Na]+ 182.094018 141.3
[M-H]- 158.097524 137.9
[M+NH4]+ 177.138623 154.4
[M+K]+ 198.067958 137.5
[M+H-H2O]+ 142.102060 127.1
[M+HCOO]- 204.103001 155.8
[M+CH3COO]- 218.118651 147.1
[M+Na-2H]- 180.079466 138.9
[M]+ 159.10425142 130.3
[M]- 159.10534858 130.3
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

patents stripe