CID 3020319

4-(1-aminopropyl)phenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CCC(C1=CC=C(C=C1)O)N
InChI
InChI=1S/C9H13NO/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9,11H,2,10H2,1H3
InChIKey
WTQZYHPAVNTISM-UHFFFAOYSA-N
Compound name
4-(1-aminopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

354
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.5
[M+Na]+ 174.088938 139.3
[M-H]- 150.092444 134.5
[M+NH4]+ 169.133543 152.6
[M+K]+ 190.062878 137.1
[M+H-H2O]+ 134.096980 127.0
[M+HCOO]- 196.097921 155.2
[M+CH3COO]- 210.113571 176.9
[M+Na-2H]- 172.074386 137.4
[M]+ 151.09917142 129.9
[M]- 151.10026858 129.9
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