CID 4072625

3-tert-butoxycarbonylamino-piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)NC1CCCNC1C(=O)O
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-12-8(7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
HOLNCBNWYPBBFQ-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.1423 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 156.9
[M+Na]+ 267.131518 160.0
[M-H]- 243.135024 155.5
[M+NH4]+ 262.176123 171.1
[M+K]+ 283.105458 158.9
[M+H-H2O]+ 227.139560 150.8
[M+HCOO]- 289.140501 170.9
[M+CH3COO]- 303.156151 189.0
[M+Na-2H]- 265.116966 158.4
[M]+ 244.14175142 152.0
[M]- 244.14284858 152.0
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