CID 4436857

2-{[(tert-butoxy)carbonyl](methyl)amino}propanoic acid

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H17NO4/c1-6(7(11)12)10(5)8(13)14-9(2,3)4/h6H,1-5H3,(H,11,12)
InChIKey
VLHQXRIIQSTJCQ-UHFFFAOYSA-N
Compound name
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1962
Patents

203.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 144.8
[M+Na]+ 226.10497 150.2
[M-H]- 202.10847 145.3
[M+NH4]+ 221.14957 163.7
[M+K]+ 242.07891 152.4
[M+H-H2O]+ 186.11301 140.1
[M+HCOO]- 248.11395 164.6
[M+CH3COO]- 262.12960 189.1
[M+Na-2H]- 224.09042 146.6
[M]+ 203.11520 147.6
[M]- 203.11630 147.6
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