CID 112509

1-butanamine, 2-(3-pentadecylphenoxy)-

Structural Information

Molecular Formula
C25H45NO
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)CN
InChI
InChI=1S/C25H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-25(21-23)27-24(4-2)22-26/h17,19-21,24H,3-16,18,22,26H2,1-2H3
InChIKey
PFPQBPMLYGILQK-UHFFFAOYSA-N
Compound name
2-(3-pentadecylphenoxy)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.35013 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.35741 204.8
[M+Na]+ 398.33935 205.0
[M-H]- 374.34285 204.9
[M+NH4]+ 393.38395 216.4
[M+K]+ 414.31329 199.7
[M+H-H2O]+ 358.34739 195.7
[M+HCOO]- 420.34833 223.5
[M+CH3COO]- 434.36398 227.5
[M+Na-2H]- 396.32480 201.5
[M]+ 375.34958 209.9
[M]- 375.35068 209.9
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

No patent data available for this compound.