CID 28996391

4-(2-phenylethoxy)butan-1-amine

Structural Information

Molecular Formula
C12H19NO
SMILES
C1=CC=C(C=C1)CCOCCCCN
InChI
InChI=1S/C12H19NO/c13-9-4-5-10-14-11-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,13H2
InChIKey
VQYYBGSIIGMPPJ-UHFFFAOYSA-N
Compound name
4-(2-phenylethoxy)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.3
[M+Na]+ 216.135888 150.5
[M-H]- 192.139394 147.6
[M+NH4]+ 211.180493 164.2
[M+K]+ 232.109828 147.9
[M+H-H2O]+ 176.143930 138.6
[M+HCOO]- 238.144871 169.5
[M+CH3COO]- 252.160521 186.6
[M+Na-2H]- 214.121336 151.1
[M]+ 193.14612142 145.9
[M]- 193.14721858 145.9
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