CID 10012504

156406-42-7

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(C)(CO)[C@H](C1=CC=CC=C1)N
InChI
InChI=1S/C11H17NO/c1-11(2,8-13)10(12)9-6-4-3-5-7-9/h3-7,10,13H,8,12H2,1-2H3/t10-/m0/s1
InChIKey
JROIRYAZVQTFDW-JTQLQIEISA-N
Compound name
(3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

179.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.7
[M+Na]+ 202.120228 147.2
[M-H]- 178.123734 143.3
[M+NH4]+ 197.164833 160.6
[M+K]+ 218.094168 144.9
[M+H-H2O]+ 162.128270 136.3
[M+HCOO]- 224.129211 162.2
[M+CH3COO]- 238.144861 182.1
[M+Na-2H]- 200.105676 147.0
[M]+ 179.13046142 139.0
[M]- 179.13155858 139.0
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