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]+ 192.13829 143.1
[M+Na]+ 214.12023 149.4
[M-H]- 190.12373 147.9
[M+NH4]+ 209.16483 162.9
[M+K]+ 230.09417 147.0
[M+H-H2O]+ 174.12827 135.6
[M+HCOO]- 236.12921 165.0
[M+CH3COO]- 250.14486 182.4
[M+Na-2H]- 212.10568 146.9
[M]+ 191.13046 141.7
[M]- 191.13156 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.