CID 782385

1-[(2-methoxyphenyl)methyl]pyrrolidine

Structural Information

Molecular Formula
C12H17NO
SMILES
COC1=CC=CC=C1CN2CCCC2
InChI
InChI=1S/C12H17NO/c1-14-12-7-3-2-6-11(12)10-13-8-4-5-9-13/h2-3,6-7H,4-5,8-10H2,1H3
InChIKey
ISUHSQYAFAENJM-UHFFFAOYSA-N
Compound name
1-[(2-methoxyphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

55
Patents

191.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.1
[M+Na]+ 214.120228 149.4
[M-H]- 190.123734 147.9
[M+NH4]+ 209.164833 162.9
[M+K]+ 230.094168 147.0
[M+H-H2O]+ 174.128270 135.6
[M+HCOO]- 236.129211 165.0
[M+CH3COO]- 250.144861 182.4
[M+Na-2H]- 212.105676 146.9
[M]+ 191.13046142 141.7
[M]- 191.13155858 141.7
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