CID 927305

26191-63-9

Structural Information

Molecular Formula
C11H17NO
SMILES
CC[C@@H](CO)NCC1=CC=CC=C1
InChI
InChI=1S/C11H17NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m0/s1
InChIKey
PGFBTQBTIYCCFJ-NSHDSACASA-N
Compound name
(2S)-2-(benzylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

179.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.5
[M+Na]+ 202.12023 152.4
[M+NH4]+ 197.16483 149.9
[M+K]+ 218.09417 145.9
[M-H]- 178.12373 143.9
[M+Na-2H]- 200.10568 148.0
[M]+ 179.13046 143.6
[M]- 179.13156 143.6
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