CID 3510571

2-[(4-methylphenyl)methyl]pyrrolidine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC=C(C=C1)CC2CCCN2
InChI
InChI=1S/C12H17N/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKey
GEWCVCGRSMUACB-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.3
[M+Na]+ 198.12532 146.3
[M-H]- 174.12882 143.8
[M+NH4]+ 193.16992 160.2
[M+K]+ 214.09926 142.5
[M+H-H2O]+ 158.13336 133.4
[M+HCOO]- 220.13430 160.5
[M+CH3COO]- 234.14995 177.8
[M+Na-2H]- 196.11077 143.7
[M]+ 175.13555 135.6
[M]- 175.13665 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe