CID 2735361

2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline

Structural Information

Molecular Formula
C13H20N2O
SMILES
COC1=CC=CC(=C1N)CCN2CCCC2
InChI
InChI=1S/C13H20N2O/c1-16-12-6-4-5-11(13(12)14)7-10-15-8-2-3-9-15/h4-6H,2-3,7-10,14H2,1H3
InChIKey
QXJOLMXARSDYNA-UHFFFAOYSA-N
Compound name
2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 151.4
[M+Na]+ 243.146778 157.2
[M-H]- 219.150284 155.9
[M+NH4]+ 238.191383 169.7
[M+K]+ 259.120718 154.2
[M+H-H2O]+ 203.154820 143.6
[M+HCOO]- 265.155761 173.4
[M+CH3COO]- 279.171411 190.7
[M+Na-2H]- 241.132226 153.5
[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