CID 3018067

Bis[(dimethylamino)methyl]phenol

Structural Information

Molecular Formula
C12H20N2O
SMILES
CN(C)CC1=C(C(=CC=C1)O)CN(C)C
InChI
InChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-12(15)11(10)9-14(3)4/h5-7,15H,8-9H2,1-4H3
InChIKey
HCKPQGBXPQNMKU-UHFFFAOYSA-N
Compound name
2,3-bis[(dimethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

782
Patents

208.15756 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 149.2
[M+Na]+ 231.14678 155.3
[M-H]- 207.15028 154.4
[M+NH4]+ 226.19138 168.6
[M+K]+ 247.12072 155.1
[M+H-H2O]+ 191.15482 142.4
[M+HCOO]- 253.15576 174.5
[M+CH3COO]- 267.17141 198.9
[M+Na-2H]- 229.13223 152.9
[M]+ 208.15701 151.5
[M]- 208.15811 151.5
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.