CID 24275310

933723-96-7

Structural Information

Molecular Formula
C12H18N2O
SMILES
COC1=CC=C(C=C1)N2CCC(C2)CN
InChI
InChI=1S/C12H18N2O/c1-15-12-4-2-11(3-5-12)14-7-6-10(8-13)9-14/h2-5,10H,6-9,13H2,1H3
InChIKey
NKHWOJQUGQNVGN-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenyl)pyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 146.8
[M+Na]+ 229.131118 153.2
[M-H]- 205.134624 151.5
[M+NH4]+ 224.175723 165.8
[M+K]+ 245.105058 150.3
[M+H-H2O]+ 189.139160 139.3
[M+HCOO]- 251.140101 169.2
[M+CH3COO]- 265.155751 187.7
[M+Na-2H]- 227.116566 149.5
[M]+ 206.14135142 144.1
[M]- 206.14244858 144.1
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.