CID 9834393

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

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)(C)OC(=O)NCCNCC(=O)O
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-5-4-10-6-7(12)13/h10H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
LZQSLXNZORCPAR-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

122
Patents

218.12666 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 150.3
[M+Na]+ 241.11588 154.6
[M-H]- 217.11938 148.9
[M+NH4]+ 236.16048 167.4
[M+K]+ 257.08982 154.8
[M+H-H2O]+ 201.12392 144.7
[M+HCOO]- 263.12486 171.4
[M+CH3COO]- 277.14051 189.9
[M+Na-2H]- 239.10133 154.0
[M]+ 218.12611 151.4
[M]- 218.12721 151.4
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