CID 13112352

85909-04-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

217.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 150.7
[M+Na]+ 240.12063 156.2
[M-H]- 216.12413 150.8
[M+NH4]+ 235.16523 169.2
[M+K]+ 256.09457 157.0
[M+H-H2O]+ 200.12867 145.6
[M+HCOO]- 262.12961 172.2
[M+CH3COO]- 276.14526 189.6
[M+Na-2H]- 238.10608 154.4
[M]+ 217.13086 155.0
[M]- 217.13196 155.0
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