CID 18786985

Methyl 2-[(propan-2-yl)amino]acetate

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C)NCC(=O)OC
InChI
InChI=1S/C6H13NO2/c1-5(2)7-4-6(8)9-3/h5,7H,4H2,1-3H3
InChIKey
JFDSZJZAEPWYJL-UHFFFAOYSA-N
Compound name
methyl 2-(propan-2-ylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

131.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.6
[M+Na]+ 154.08386 134.9
[M-H]- 130.08736 129.1
[M+NH4]+ 149.12846 150.4
[M+K]+ 170.05780 135.9
[M+H-H2O]+ 114.09190 123.8
[M+HCOO]- 176.09284 152.2
[M+CH3COO]- 190.10849 176.0
[M+Na-2H]- 152.06931 133.3
[M]+ 131.09409 129.9
[M]- 131.09519 129.9
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