CID 15485566

N-methyl-4-[2-(pyrrolidin-1-yl)ethoxy]aniline

Structural Information

Molecular Formula
C13H20N2O
SMILES
CNC1=CC=C(C=C1)OCCN2CCCC2
InChI
InChI=1S/C13H20N2O/c1-14-12-4-6-13(7-5-12)16-11-10-15-8-2-3-9-15/h4-7,14H,2-3,8-11H2,1H3
InChIKey
ZMDDOSWQDIJCRL-UHFFFAOYSA-N
Compound name
N-methyl-4-(2-pyrrolidin-1-ylethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 150.8
[M+Na]+ 243.14678 155.7
[M-H]- 219.15028 155.4
[M+NH4]+ 238.19138 169.1
[M+K]+ 259.12072 153.0
[M+H-H2O]+ 203.15482 142.6
[M+HCOO]- 265.15576 173.4
[M+CH3COO]- 279.17141 190.2
[M+Na-2H]- 241.13223 154.6
[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

patents stripe