CID 4091386

2-(3-aminopropyl)phenolhydrochloride

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC=C(C(=C1)CCCN)O
InChI
InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7,10H2
InChIKey
QWGDENNPWXKGPQ-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.7
[M+Na]+ 174.08894 143.5
[M+NH4]+ 169.13354 140.4
[M+K]+ 190.06288 137.0
[M-H]- 150.09244 134.2
[M+Na-2H]- 172.07439 138.4
[M]+ 151.09917 133.9
[M]- 151.10027 133.9
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

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