CID 95699

6339-48-6

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CN(C)CC1=CC(=C(C=C1O)CN(C)C)O
InChI
InChI=1S/C12H20N2O2/c1-13(2)7-9-5-12(16)10(6-11(9)15)8-14(3)4/h5-6,15-16H,7-8H2,1-4H3
InChIKey
QAPHUXJGSNSWPK-UHFFFAOYSA-N
Compound name
2,5-bis[(dimethylamino)methyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

224.15248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 152.3
[M+Na]+ 247.14170 158.9
[M-H]- 223.14520 156.5
[M+NH4]+ 242.18630 170.6
[M+K]+ 263.11564 158.4
[M+H-H2O]+ 207.14974 145.8
[M+HCOO]- 269.15068 176.3
[M+CH3COO]- 283.16633 199.6
[M+Na-2H]- 245.12715 154.8
[M]+ 224.15193 154.6
[M]- 224.15303 154.6
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

No patent data available for this compound.