CID 15907303

3-(2,5-diaminophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1=CC(=C(C=C1N)CCCO)N
InChI
InChI=1S/C9H14N2O/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,1-2,5,10-11H2
InChIKey
YUJXSPKHJRUTMT-UHFFFAOYSA-N
Compound name
3-(2,5-diaminophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

166.11061 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 135.8
[M+Na]+ 189.09983 143.0
[M-H]- 165.10333 137.5
[M+NH4]+ 184.14443 155.1
[M+K]+ 205.07377 139.9
[M+H-H2O]+ 149.10787 130.0
[M+HCOO]- 211.10881 159.9
[M+CH3COO]- 225.12446 181.7
[M+Na-2H]- 187.08528 140.5
[M]+ 166.11006 132.5
[M]- 166.11116 132.5
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