CID 62386234

2h-pyran-4-propanoic acid, alpha-aminotetrahydro-, hydrochloride (1:1)

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1COCCC1CC(C(=O)O)N
InChI
InChI=1S/C8H15NO3/c9-7(8(10)11)5-6-1-3-12-4-2-6/h6-7H,1-5,9H2,(H,10,11)
InChIKey
JSHHRIISICNOLM-UHFFFAOYSA-N
Compound name
2-amino-3-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

173.1052 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 139.3
[M+Na]+ 196.094418 142.4
[M-H]- 172.097924 140.6
[M+NH4]+ 191.139023 156.3
[M+K]+ 212.068358 142.8
[M+H-H2O]+ 156.102460 133.3
[M+HCOO]- 218.103401 156.5
[M+CH3COO]- 232.119051 178.1
[M+Na-2H]- 194.079866 142.1
[M]+ 173.10465142 133.8
[M]- 173.10574858 133.8
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