CID 10656390

4-{[(tert-butoxy)carbonyl](methyl)amino}butanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

217.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 150.2
[M+Na]+ 240.120628 155.4
[M-H]- 216.124134 150.3
[M+NH4]+ 235.165233 168.6
[M+K]+ 256.094568 156.7
[M+H-H2O]+ 200.128670 145.1
[M+HCOO]- 262.129611 170.6
[M+CH3COO]- 276.145261 191.1
[M+Na-2H]- 238.106076 152.6
[M]+ 217.13086142 153.9
[M]- 217.13195858 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