CID 21642868

3-benzyl-2-methylpyrrolidine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1C(CCN1)CC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-10-12(7-8-13-10)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKey
POPKDHUVIWNVDS-UHFFFAOYSA-N
Compound name
3-benzyl-2-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 140.3
[M+Na]+ 198.125318 146.3
[M-H]- 174.128824 143.8
[M+NH4]+ 193.169923 160.2
[M+K]+ 214.099258 142.5
[M+H-H2O]+ 158.133360 133.4
[M+HCOO]- 220.134301 160.5
[M+CH3COO]- 234.149951 177.8
[M+Na-2H]- 196.110766 143.7
[M]+ 175.13555142 135.6
[M]- 175.13664858 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

No literature data available for this compound.

Patent stripe

patents stripe