CID 410467

3-(phenylamino)propan-1-ol

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC=C(C=C1)NCCCO
InChI
InChI=1S/C9H13NO/c11-8-4-7-10-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2
InChIKey
GZYBSURBYCLNSM-UHFFFAOYSA-N
Compound name
3-anilinopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

27143
Patents

151.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.4
[M+Na]+ 174.088938 137.5
[M-H]- 150.092444 133.4
[M+NH4]+ 169.133543 151.6
[M+K]+ 190.062878 135.1
[M+H-H2O]+ 134.096980 125.6
[M+HCOO]- 196.097921 155.8
[M+CH3COO]- 210.113571 175.5
[M+Na-2H]- 172.074386 139.5
[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