CID 165728660

2803835-28-9

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(C)(C)OC(=O)N(CC(=O)O)C1CC(C1)C#N
InChI
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(17)14(7-10(15)16)9-4-8(5-9)6-13/h8-9H,4-5,7H2,1-3H3,(H,15,16)
InChIKey
GZWXAPLUFITZCW-UHFFFAOYSA-N
Compound name
2-[(3-cyanocyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 159.6
[M+Na]+ 277.11588 163.5
[M-H]- 253.11938 162.4
[M+NH4]+ 272.16048 168.4
[M+K]+ 293.08982 168.7
[M+H-H2O]+ 237.12392 142.3
[M+HCOO]- 299.12486 174.2
[M+CH3COO]- 313.14051 210.7
[M+Na-2H]- 275.10133 159.6
[M]+ 254.12611 163.6
[M]- 254.12721 163.6
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.