CID 12991451

2-{[(tert-butoxy)carbonyl](ethyl)amino}acetic acid

Structural Information

Molecular Formula
C9H17NO4
SMILES
CCN(CC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H17NO4/c1-5-10(6-7(11)12)8(13)14-9(2,3)4/h5-6H2,1-4H3,(H,11,12)
InChIKey
SPBIXXXFDSLALC-UHFFFAOYSA-N
Compound name
2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

416
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 145.5
[M+Na]+ 226.10497 151.1
[M-H]- 202.10847 145.8
[M+NH4]+ 221.14957 164.4
[M+K]+ 242.07891 152.7
[M+H-H2O]+ 186.11301 140.6
[M+HCOO]- 248.11395 166.3
[M+CH3COO]- 262.12960 188.1
[M+Na-2H]- 224.09042 148.5
[M]+ 203.11520 148.8
[M]- 203.11630 148.8
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