CID 14425929

{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}methanamine

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)CN
InChI
InChI=1S/C13H20N2O/c14-11-12-3-5-13(6-4-12)16-10-9-15-7-1-2-8-15/h3-6H,1-2,7-11,14H2
InChIKey
MZTRPMDTKZJSDX-UHFFFAOYSA-N
Compound name
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

220.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 151.2
[M+Na]+ 243.146778 156.0
[M-H]- 219.150284 155.2
[M+NH4]+ 238.191383 169.2
[M+K]+ 259.120718 153.0
[M+H-H2O]+ 203.154820 143.0
[M+HCOO]- 265.155761 173.1
[M+CH3COO]- 279.171411 189.6
[M+Na-2H]- 241.132226 154.0
[M]+ 220.15701142 148.4
[M]- 220.15810858 148.4
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