CID 14760311

Tert-butyl 3-(methylamino)propanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(C)OC(=O)CCNC
InChI
InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-6-9-4/h9H,5-6H2,1-4H3
InChIKey
QFMOPRNLDIPINY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(methylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
Patents

159.12593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.2
[M+Na]+ 182.11515 143.4
[M-H]- 158.11865 137.6
[M+NH4]+ 177.15975 158.2
[M+K]+ 198.08909 143.8
[M+H-H2O]+ 142.12319 132.7
[M+HCOO]- 204.12413 159.6
[M+CH3COO]- 218.13978 180.8
[M+Na-2H]- 180.10060 142.9
[M]+ 159.12538 139.4
[M]- 159.12648 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe