CID 202635

Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride

Structural Information

Molecular Formula
C14H19NO
SMILES
C=CCC(CC=C)(CN)C1=CC=C(C=C1)O
InChI
InChI=1S/C14H19NO/c1-3-9-14(11-15,10-4-2)12-5-7-13(16)8-6-12/h3-8,16H,1-2,9-11,15H2
InChIKey
YVXDRJOXRVDHDR-UHFFFAOYSA-N
Compound name
4-[4-(aminomethyl)hepta-1,6-dien-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 152.4
[M+Na]+ 240.135888 158.3
[M-H]- 216.139394 153.7
[M+NH4]+ 235.180493 169.9
[M+K]+ 256.109828 153.6
[M+H-H2O]+ 200.143930 146.6
[M+HCOO]- 262.144871 173.2
[M+CH3COO]- 276.160521 189.8
[M+Na-2H]- 238.121336 156.6
[M]+ 217.14612142 150.4
[M]- 217.14721858 150.4
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.