CID 119030319

2-(1-phenylpropoxy)ethan-1-amine

Structural Information

Molecular Formula
C11H17NO
SMILES
CCC(C1=CC=CC=C1)OCCN
InChI
InChI=1S/C11H17NO/c1-2-11(13-9-8-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3
InChIKey
IUNSHSLDGLFMEQ-UHFFFAOYSA-N
Compound name
2-(1-phenylpropoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.6
[M+Na]+ 202.120228 147.0
[M-H]- 178.123734 144.2
[M+NH4]+ 197.164833 161.0
[M+K]+ 218.094168 145.1
[M+H-H2O]+ 162.128270 135.2
[M+HCOO]- 224.129211 165.1
[M+CH3COO]- 238.144861 184.4
[M+Na-2H]- 200.105676 146.7
[M]+ 179.13046142 141.2
[M]- 179.13155858 141.2
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

No patent data available for this compound.