CID 27520

2,4-diamino-6-methylphenol

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=CC(=CC(=C1O)N)N
InChI
InChI=1S/C7H10N2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,8-9H2,1H3
InChIKey
WSVFDPKNANXQKM-UHFFFAOYSA-N
Compound name
2,4-diamino-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

330
Patents

138.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.0
[M+Na]+ 161.06854 135.9
[M-H]- 137.07204 129.4
[M+NH4]+ 156.11314 147.7
[M+K]+ 177.04248 133.3
[M+H-H2O]+ 121.07658 121.8
[M+HCOO]- 183.07752 151.6
[M+CH3COO]- 197.09317 176.8
[M+Na-2H]- 159.05399 131.9
[M]+ 138.07877 123.3
[M]- 138.07987 123.3
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