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

13
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

literature stripe

Patent stripe

patents stripe