CID 66467362

2-benzyl-2-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC1(CCCN1)CC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-12(8-5-9-13-12)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKey
XQGZBKZGCLUJKN-UHFFFAOYSA-N
Compound name
2-benzyl-2-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 140.6
[M+Na]+ 198.12532 146.6
[M-H]- 174.12882 144.1
[M+NH4]+ 193.16992 162.2
[M+K]+ 214.09926 143.0
[M+H-H2O]+ 158.13336 133.9
[M+HCOO]- 220.13430 160.9
[M+CH3COO]- 234.14995 152.9
[M+Na-2H]- 196.11077 145.7
[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