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

6
Patents

193.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 145.3
[M+Na]+ 216.13589 150.5
[M-H]- 192.13939 147.6
[M+NH4]+ 211.18049 164.2
[M+K]+ 232.10983 147.9
[M+H-H2O]+ 176.14393 138.6
[M+HCOO]- 238.14487 169.5
[M+CH3COO]- 252.16052 186.6
[M+Na-2H]- 214.12134 151.1
[M]+ 193.14612 145.9
[M]- 193.14722 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