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

90
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 155.6
[M+Na]+ 266.136278 160.7
[M-H]- 242.139784 155.9
[M+NH4]+ 261.180883 173.1
[M+K]+ 282.110218 160.6
[M+H-H2O]+ 226.144320 150.8
[M+HCOO]- 288.145261 169.8
[M+CH3COO]- 302.160911 188.8
[M+Na-2H]- 264.121726 158.3
[M]+ 243.14651142 154.3
[M]- 243.14760858 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