CID 5325154

75866-72-7

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1=N[C@H](CO1)CC2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKey
XFGDWXDHKJEUEA-NSHDSACASA-N
Compound name
(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

175.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 136.4
[M+Na]+ 198.08894 144.3
[M-H]- 174.09244 142.4
[M+NH4]+ 193.13354 155.7
[M+K]+ 214.06288 143.0
[M+H-H2O]+ 158.09698 129.4
[M+HCOO]- 220.09792 159.2
[M+CH3COO]- 234.11357 179.0
[M+Na-2H]- 196.07439 142.6
[M]+ 175.09917 136.7
[M]- 175.10027 136.7
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