CID 19748503

3-(1-aminopropyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.5
[M+Na]+ 174.08894 139.3
[M-H]- 150.09244 134.5
[M+NH4]+ 169.13354 152.6
[M+K]+ 190.06288 137.1
[M+H-H2O]+ 134.09698 127.0
[M+HCOO]- 196.09792 155.2
[M+CH3COO]- 210.11357 176.9
[M+Na-2H]- 172.07439 137.4
[M]+ 151.09917 129.9
[M]- 151.10027 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

No literature data available for this compound.

Patent stripe

patents stripe