CID 3047196

1-(methylamino)-3-phenylpropan-2-ol

Structural Information

Molecular Formula
C10H15NO
SMILES
CNCC(CC1=CC=CC=C1)O
InChI
InChI=1S/C10H15NO/c1-11-8-10(12)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
InChIKey
QKDPDTZVDBRIFG-UHFFFAOYSA-N
Compound name
1-(methylamino)-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

138
Patents

165.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 136.9
[M+Na]+ 188.104588 142.2
[M-H]- 164.108094 138.8
[M+NH4]+ 183.149193 156.4
[M+K]+ 204.078528 140.1
[M+H-H2O]+ 148.112630 130.9
[M+HCOO]- 210.113571 159.8
[M+CH3COO]- 224.129221 179.4
[M+Na-2H]- 186.090036 143.0
[M]+ 165.11482142 135.2
[M]- 165.11591858 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe