CID 22446672

4-{[(tert-butoxy)carbonyl]amino}-2-methylidenebutanoic acid

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)NCCC(=C)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-7(8(12)13)5-6-11-9(14)15-10(2,3)4/h1,5-6H2,2-4H3,(H,11,14)(H,12,13)
InChIKey
QCMUHVVFSIRDMB-UHFFFAOYSA-N
Compound name
2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 149.3
[M+Na]+ 238.10497 154.3
[M-H]- 214.10847 148.0
[M+NH4]+ 233.14957 166.9
[M+K]+ 254.07891 154.2
[M+H-H2O]+ 198.11301 144.5
[M+HCOO]- 260.11395 168.4
[M+CH3COO]- 274.12960 187.7
[M+Na-2H]- 236.09042 151.2
[M]+ 215.11520 150.4
[M]- 215.11630 150.4
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