CID 12610646

2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile

Structural Information

Molecular Formula
C12H16N2O
SMILES
CN(C)CC(C#N)C(C1=CC=CC=C1)O
InChI
InChI=1S/C12H16N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,9H2,1-2H3
InChIKey
WCZVTQMRUOZDCR-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 150.9
[M+Na]+ 227.11549 157.6
[M-H]- 203.11899 153.6
[M+NH4]+ 222.16009 167.3
[M+K]+ 243.08943 155.7
[M+H-H2O]+ 187.12353 137.8
[M+HCOO]- 249.12447 169.2
[M+CH3COO]- 263.14012 202.3
[M+Na-2H]- 225.10094 153.5
[M]+ 204.12572 145.5
[M]- 204.12682 145.5
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

No patent data available for this compound.