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

10
Patents

159.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 133.8
[M+Na]+ 182.09402 141.3
[M-H]- 158.09752 137.9
[M+NH4]+ 177.13862 154.4
[M+K]+ 198.06796 137.5
[M+H-H2O]+ 142.10206 127.1
[M+HCOO]- 204.10300 155.8
[M+CH3COO]- 218.11865 147.1
[M+Na-2H]- 180.07947 138.9
[M]+ 159.10425 130.3
[M]- 159.10535 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