CID 43726111

Methyl 2-methyl-2-[(propan-2-yl)amino]propanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)NC(C)(C)C(=O)OC
InChI
InChI=1S/C8H17NO2/c1-6(2)9-8(3,4)7(10)11-5/h6,9H,1-5H3
InChIKey
DCTJKSQMQNLSAC-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-(propan-2-ylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

159.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 136.8
[M+Na]+ 182.115148 142.8
[M-H]- 158.118654 137.3
[M+NH4]+ 177.159753 157.7
[M+K]+ 198.089088 143.7
[M+H-H2O]+ 142.123190 132.4
[M+HCOO]- 204.124131 158.2
[M+CH3COO]- 218.139781 182.4
[M+Na-2H]- 180.100596 141.3
[M]+ 159.12538142 138.4
[M]- 159.12647858 138.4
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