CID 721138

2-amino-4-propylphenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CCCC1=CC(=C(C=C1)O)N
InChI
InChI=1S/C9H13NO/c1-2-3-7-4-5-9(11)8(10)6-7/h4-6,11H,2-3,10H2,1H3
InChIKey
VXTJVMWIVSZHNI-UHFFFAOYSA-N
Compound name
2-amino-4-propylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1226
Patents

151.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.6
[M+Na]+ 174.088938 139.7
[M-H]- 150.092444 134.0
[M+NH4]+ 169.133543 152.2
[M+K]+ 190.062878 137.0
[M+H-H2O]+ 134.096980 126.4
[M+HCOO]- 196.097921 155.3
[M+CH3COO]- 210.113571 177.1
[M+Na-2H]- 172.074386 137.2
[M]+ 151.09917142 130.1
[M]- 151.10026858 130.1
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