CID 10975952

220861-37-0

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)OC(=O)C[C@H](C=C)O
InChI
InChI=1S/C9H16O3/c1-5-7(10)6-8(11)12-9(2,3)4/h5,7,10H,1,6H2,2-4H3/t7-/m0/s1
InChIKey
OBFPCKWYDQCBHO-ZETCQYMHSA-N
Compound name
tert-butyl (3R)-3-hydroxypent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

172.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 139.1
[M+Na]+ 195.09916 145.4
[M-H]- 171.10266 138.0
[M+NH4]+ 190.14376 159.0
[M+K]+ 211.07310 145.1
[M+H-H2O]+ 155.10720 135.1
[M+HCOO]- 217.10814 158.1
[M+CH3COO]- 231.12379 178.3
[M+Na-2H]- 193.08461 142.5
[M]+ 172.10939 140.7
[M]- 172.11049 140.7
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