CID 1502084

(s)-2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)CC(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-5-9(8-13)7-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKey
QZYGREZDLJVVSV-VIFPVBQESA-N
Compound name
2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.8
[M+Na]+ 266.13628 160.9
[M-H]- 242.13978 156.8
[M+NH4]+ 261.18088 172.2
[M+K]+ 282.11022 160.4
[M+H-H2O]+ 226.14432 150.8
[M+HCOO]- 288.14526 171.0
[M+CH3COO]- 302.16091 189.2
[M+Na-2H]- 264.12173 158.0
[M]+ 243.14651 155.0
[M]- 243.14761 155.0
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