CID 132398984

2171202-22-3

Structural Information

Molecular Formula
C13H20N2O
SMILES
CO[C@@H]1C[C@H](N(C1)CC2=CC=CC=C2)CN
InChI
InChI=1S/C13H20N2O/c1-16-13-7-12(8-14)15(10-13)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3/t12-,13+/m0/s1
InChIKey
KCFCMCLIRLTYQM-QWHCGFSZSA-N
Compound name
[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 151.4
[M+Na]+ 243.14678 157.2
[M-H]- 219.15028 155.9
[M+NH4]+ 238.19138 169.7
[M+K]+ 259.12072 154.2
[M+H-H2O]+ 203.15482 143.6
[M+HCOO]- 265.15576 173.4
[M+CH3COO]- 279.17141 190.7
[M+Na-2H]- 241.13223 153.5
[M]+ 220.15701 149.0
[M]- 220.15811 149.0
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.