CID 1512504

170115-96-5

Structural Information

Molecular Formula
C12H18N2O2
SMILES
C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)CN
InChI
InChI=1S/C12H18N2O2/c1-9(14(2)11(15)8-13)12(16)10-6-4-3-5-7-10/h3-7,9,12,16H,8,13H2,1-2H3/t9-,12+/m0/s1
InChIKey
RASDPMXCBLHKCI-JOYOIKCWSA-N
Compound name
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

222.13683 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 153.4
[M+Na]+ 245.12605 157.0
[M-H]- 221.12955 156.1
[M+NH4]+ 240.17065 170.4
[M+K]+ 261.09999 156.5
[M+H-H2O]+ 205.13409 146.4
[M+HCOO]- 267.13503 175.0
[M+CH3COO]- 281.15068 195.7
[M+Na-2H]- 243.11150 154.4
[M]+ 222.13628 151.4
[M]- 222.13738 151.4
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