CID 18628338

Hmboa hexose

Structural Information

Molecular Formula
C8H18NO2
SMILES
CC(C)C(C(=O)O)[N+](C)(C)C
InChI
InChI=1S/C8H17NO2/c1-6(2)7(8(10)11)9(3,4)5/h6-7H,1-5H3/p+1
InChIKey
REWYJJRDEOKNBQ-UHFFFAOYSA-O
Compound name
(1-carboxy-2-methylpropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

160.13376 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.14104 132.6
[M+Na]+ 183.12298 138.3
[M-H]- 159.12648 133.4
[M+NH4]+ 178.16758 153.3
[M+K]+ 199.09692 134.0
[M+H-H2O]+ 143.13102 131.4
[M+HCOO]- 205.13196 152.7
[M+CH3COO]- 219.14761 176.8
[M+Na-2H]- 181.10843 138.6
[M]+ 160.13321 131.8
[M]- 160.13431 131.8
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