CID 2755971

N-(tert-butoxycarbonyl)iminodiacetic acid

Structural Information

Molecular Formula
C9H15NO6
SMILES
CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKey
QPGIJQUTGABQLQ-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

629
Patents

233.08994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09722 148.8
[M+Na]+ 256.07916 153.7
[M-H]- 232.08266 147.7
[M+NH4]+ 251.12376 165.4
[M+K]+ 272.05310 155.6
[M+H-H2O]+ 216.08720 143.8
[M+HCOO]- 278.08814 167.7
[M+CH3COO]- 292.10379 190.0
[M+Na-2H]- 254.06461 150.4
[M]+ 233.08939 151.8
[M]- 233.09049 151.8
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