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]+ 205.133546 150.9
[M+Na]+ 227.115488 157.6
[M-H]- 203.118994 153.6
[M+NH4]+ 222.160093 167.3
[M+K]+ 243.089428 155.7
[M+H-H2O]+ 187.123530 137.8
[M+HCOO]- 249.124471 169.2
[M+CH3COO]- 263.140121 202.3
[M+Na-2H]- 225.100936 153.5
[M]+ 204.12572142 145.5
[M]- 204.12681858 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.