CID 9815235

2-(2,5-diaminophenyl)ethanol

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1=CC(=C(C=C1N)CCO)N
InChI
InChI=1S/C8H12N2O/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5,11H,3-4,9-10H2
InChIKey
KWSVXCAQFTWTEF-UHFFFAOYSA-N
Compound name
2-(2,5-diaminophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

10687
Patents

152.09496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.3
[M+Na]+ 175.08418 138.9
[M-H]- 151.08768 133.2
[M+NH4]+ 170.12878 151.1
[M+K]+ 191.05812 136.0
[M+H-H2O]+ 135.09222 125.7
[M+HCOO]- 197.09316 155.7
[M+CH3COO]- 211.10881 178.6
[M+Na-2H]- 173.06963 136.5
[M]+ 152.09441 127.6
[M]- 152.09551 127.6
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