CID 12136629

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

Structural Information

Molecular Formula
C10H19NO4
SMILES
CCCN(CC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h5-7H2,1-4H3,(H,12,13)
InChIKey
RYAKVKATDZQYAM-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

217.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 150.2
[M+Na]+ 240.12063 155.4
[M-H]- 216.12413 150.3
[M+NH4]+ 235.16523 168.6
[M+K]+ 256.09457 156.7
[M+H-H2O]+ 200.12867 145.1
[M+HCOO]- 262.12961 170.6
[M+CH3COO]- 276.14526 191.1
[M+Na-2H]- 238.10608 152.6
[M]+ 217.13086 153.9
[M]- 217.13196 153.9
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