CID 145869363

2137628-75-0

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NCC1CC(C1)CC(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-9-4-8(5-9)6-10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
JQDUFLLXGZYFJU-UHFFFAOYSA-N
Compound name
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 160.3
[M+Na]+ 266.136278 162.6
[M-H]- 242.139784 161.7
[M+NH4]+ 261.180883 170.1
[M+K]+ 282.110218 165.5
[M+H-H2O]+ 226.144320 149.0
[M+HCOO]- 288.145261 177.3
[M+CH3COO]- 302.160911 196.1
[M+Na-2H]- 264.121726 160.8
[M]+ 243.14651142 169.1
[M]- 243.14760858 169.1
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

No patent data available for this compound.