CID 73553636

1158759-72-8

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C#N)C(=O)O
InChI
InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-6-4-5-12(7-13,8-14)9(15)16/h4-6,8H2,1-3H3,(H,15,16)
InChIKey
OYURTYFDXULIBT-UHFFFAOYSA-N
Compound name
3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 158.0
[M+Na]+ 277.11588 165.2
[M-H]- 253.11938 158.4
[M+NH4]+ 272.16048 173.2
[M+K]+ 293.08982 163.7
[M+H-H2O]+ 237.12392 146.5
[M+HCOO]- 299.12486 169.6
[M+CH3COO]- 313.14051 201.4
[M+Na-2H]- 275.10133 160.5
[M]+ 254.12611 151.6
[M]- 254.12721 151.6
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.