CID 82836982

Methyl 2-amino-2-(oxolan-2-yl)acetate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)C(C1CCCO1)N
InChI
InChI=1S/C7H13NO3/c1-10-7(9)6(8)5-3-2-4-11-5/h5-6H,2-4,8H2,1H3
InChIKey
NCWMZQSTQUDGNH-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(oxolan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 135.0
[M+Na]+ 182.07876 139.9
[M-H]- 158.08226 138.2
[M+NH4]+ 177.12336 155.3
[M+K]+ 198.05270 141.4
[M+H-H2O]+ 142.08680 129.4
[M+HCOO]- 204.08774 156.3
[M+CH3COO]- 218.10339 176.5
[M+Na-2H]- 180.06421 137.7
[M]+ 159.08899 133.0
[M]- 159.09009 133.0
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

No patent data available for this compound.