CID 11368145

(s)-n-boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey
SSYLTDCVONDKNS-QMMMGPOBSA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

227.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 150.6
[M+Na]+ 250.104968 156.2
[M-H]- 226.108474 151.1
[M+NH4]+ 245.149573 166.7
[M+K]+ 266.078908 155.7
[M+H-H2O]+ 210.113010 144.7
[M+HCOO]- 272.113951 166.6
[M+CH3COO]- 286.129601 185.8
[M+Na-2H]- 248.090416 153.3
[M]+ 227.11520142 149.9
[M]- 227.11629858 149.9
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