CID 10681562

(1-boc-4-piperidinylidene)acetic acid

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC(=CC(=O)O)CC1
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
PICPNXSVAVWVIC-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

241.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.5
[M+Na]+ 264.12063 160.0
[M-H]- 240.12413 155.6
[M+NH4]+ 259.16523 171.0
[M+K]+ 280.09457 158.9
[M+H-H2O]+ 224.12867 149.7
[M+HCOO]- 286.12961 170.0
[M+CH3COO]- 300.14526 187.7
[M+Na-2H]- 262.10608 156.8
[M]+ 241.13086 153.0
[M]- 241.13196 153.0
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