CID 586680

(3,5-diaminophenyl)methanol

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1=C(C=C(C=C1N)N)CO
InChI
InChI=1S/C7H10N2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4,8-9H2
InChIKey
OHLQBRYVKXJYHZ-UHFFFAOYSA-N
Compound name
(3,5-diaminophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

939
Patents

138.07932 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 126.8
[M+Na]+ 161.06854 134.8
[M-H]- 137.07204 128.9
[M+NH4]+ 156.11314 147.1
[M+K]+ 177.04248 132.2
[M+H-H2O]+ 121.07658 121.4
[M+HCOO]- 183.07752 151.5
[M+CH3COO]- 197.09317 175.6
[M+Na-2H]- 159.05399 132.5
[M]+ 138.07877 122.7
[M]- 138.07987 122.7
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