CID 18672790

3-(2-phenylethoxy)propan-1-amine

Structural Information

Molecular Formula
C11H17NO
SMILES
C1=CC=C(C=C1)CCOCCCN
InChI
InChI=1S/C11H17NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2
InChIKey
ONEOQRJTHAYVJL-UHFFFAOYSA-N
Compound name
3-(2-phenylethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.13101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.7
[M+Na]+ 202.12023 146.4
[M-H]- 178.12373 143.2
[M+NH4]+ 197.16483 160.2
[M+K]+ 218.09417 144.0
[M+H-H2O]+ 162.12827 134.2
[M+HCOO]- 224.12921 165.2
[M+CH3COO]- 238.14486 183.6
[M+Na-2H]- 200.10568 147.1
[M]+ 179.13046 141.0
[M]- 179.13156 141.0
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