CID 62385630

2-(methylamino)-2-(oxan-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
CNC(C1CCOCC1)C(=O)O
InChI
InChI=1S/C8H15NO3/c1-9-7(8(10)11)6-2-4-12-5-3-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKey
NQXXWQXRQRATNQ-UHFFFAOYSA-N
Compound name
2-(methylamino)-2-(oxan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

173.1052 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.7
[M+Na]+ 196.09442 141.8
[M-H]- 172.09792 140.6
[M+NH4]+ 191.13902 156.0
[M+K]+ 212.06836 142.6
[M+H-H2O]+ 156.10246 132.7
[M+HCOO]- 218.10340 156.6
[M+CH3COO]- 232.11905 178.7
[M+Na-2H]- 194.07987 142.7
[M]+ 173.10465 134.2
[M]- 173.10575 134.2
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