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

9
Patents

220.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 150.8
[M+Na]+ 243.146778 155.7
[M-H]- 219.150284 155.4
[M+NH4]+ 238.191383 169.1
[M+K]+ 259.120718 153.0
[M+H-H2O]+ 203.154820 142.6
[M+HCOO]- 265.155761 173.4
[M+CH3COO]- 279.171411 190.2
[M+Na-2H]- 241.132226 154.6
[M]+ 220.15701142 149.0
[M]- 220.15810858 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