CID 32897

2-((dimethylamino)methyl)phenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CN(C)CC1=CC=CC=C1O
InChI
InChI=1S/C9H13NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3
InChIKey
FUIQBJHUESBZNU-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19899
Patents

151.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.2
[M+Na]+ 174.088938 138.4
[M-H]- 150.092444 135.2
[M+NH4]+ 169.133543 152.4
[M+K]+ 190.062878 137.5
[M+H-H2O]+ 134.096980 125.5
[M+HCOO]- 196.097921 156.1
[M+CH3COO]- 210.113571 180.1
[M+Na-2H]- 172.074386 137.8
[M]+ 151.09917142 131.6
[M]- 151.10026858 131.6
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