CID 110665

3-(dimethylamino)-1-phenylpropan-1-ol

Structural Information

Molecular Formula
C11H17NO
SMILES
CN(C)CCC(C1=CC=CC=C1)O
InChI
InChI=1S/C11H17NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey
VELGOYBSKBKQFF-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

241
Patents

179.13101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.6
[M+Na]+ 202.120228 146.7
[M-H]- 178.123734 144.8
[M+NH4]+ 197.164833 161.2
[M+K]+ 218.094168 145.7
[M+H-H2O]+ 162.128270 135.2
[M+HCOO]- 224.129211 164.7
[M+CH3COO]- 238.144861 185.9
[M+Na-2H]- 200.105676 146.5
[M]+ 179.13046142 141.6
[M]- 179.13155858 141.6
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