CID 21085425

2-amino-4-(benzyloxy)butan-1-olhydrochloride

Structural Information

Molecular Formula
C11H17NO2
SMILES
C1=CC=C(C=C1)COCCC(CO)N
InChI
InChI=1S/C11H17NO2/c12-11(8-13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2
InChIKey
BQARLVBYOPQTOU-UHFFFAOYSA-N
Compound name
2-amino-4-phenylmethoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

195.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.9
[M+Na]+ 218.11515 149.8
[M-H]- 194.11865 146.1
[M+NH4]+ 213.15975 162.9
[M+K]+ 234.08909 147.6
[M+H-H2O]+ 178.12319 138.5
[M+HCOO]- 240.12413 167.2
[M+CH3COO]- 254.13978 183.8
[M+Na-2H]- 216.10060 149.5
[M]+ 195.12538 144.1
[M]- 195.12648 144.1
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