CID 85127

2,6-bis[(dimethylamino)methyl]phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

208.15756 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.164836 149.2
[M+Na]+ 231.146778 155.3
[M-H]- 207.150284 154.4
[M+NH4]+ 226.191383 168.6
[M+K]+ 247.120718 155.1
[M+H-H2O]+ 191.154820 142.4
[M+HCOO]- 253.155761 174.5
[M+CH3COO]- 267.171411 198.9
[M+Na-2H]- 229.132226 152.9
[M]+ 208.15701142 151.5
[M]- 208.15810858 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.