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
4
Annotation Hits

0
References

792
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

literature stripe

Patent stripe

patents stripe