CID 4715076

2-(2,5-dimethylphenyl)pyrrolidine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC(=C(C=C1)C)C2CCCN2
InChI
InChI=1S/C12H17N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKey
YDFGECBUKLAMHF-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.0
[M+Na]+ 198.12532 147.0
[M-H]- 174.12882 143.9
[M+NH4]+ 193.16992 160.2
[M+K]+ 214.09926 143.2
[M+H-H2O]+ 158.13336 133.4
[M+HCOO]- 220.13430 160.3
[M+CH3COO]- 234.14995 178.9
[M+Na-2H]- 196.11077 142.8
[M]+ 175.13555 135.8
[M]- 175.13665 135.8
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