CID 42614787

1-[(tert-butoxy)carbonyl]-2-methylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(CCCCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-5-7-12(13,4)9(14)15/h5-8H2,1-4H3,(H,14,15)
InChIKey
BDAXXVZMKUJADB-UHFFFAOYSA-N
Compound name
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 155.6
[M+Na]+ 266.13628 160.7
[M-H]- 242.13978 155.9
[M+NH4]+ 261.18088 173.1
[M+K]+ 282.11022 160.6
[M+H-H2O]+ 226.14432 150.8
[M+HCOO]- 288.14526 169.8
[M+CH3COO]- 302.16091 188.8
[M+Na-2H]- 264.12173 158.3
[M]+ 243.14651 154.3
[M]- 243.14761 154.3
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