CID 9793924

4-(3-aminobutyl)phenol

Structural Information

Molecular Formula
C10H15NO
SMILES
CC(CCC1=CC=C(C=C1)O)N
InChI
InChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3
InChIKey
WNTVTQIJPAFZEL-UHFFFAOYSA-N
Compound name
4-(3-aminobutyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

165.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 137.1
[M+Na]+ 188.10459 143.5
[M-H]- 164.10809 138.9
[M+NH4]+ 183.14919 156.7
[M+K]+ 204.07853 141.0
[M+H-H2O]+ 148.11263 131.5
[M+HCOO]- 210.11357 159.5
[M+CH3COO]- 224.12922 179.9
[M+Na-2H]- 186.09004 141.5
[M]+ 165.11482 134.9
[M]- 165.11592 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe