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]+ 174.112476 138.7
[M+Na]+ 196.094418 141.8
[M-H]- 172.097924 140.6
[M+NH4]+ 191.139023 156.0
[M+K]+ 212.068358 142.6
[M+H-H2O]+ 156.102460 132.7
[M+HCOO]- 218.103401 156.6
[M+CH3COO]- 232.119051 178.7
[M+Na-2H]- 194.079866 142.7
[M]+ 173.10465142 134.2
[M]- 173.10574858 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