CID 57750372

4-cyano-1-methylpiperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CN1CCC(CC1)(C#N)C(=O)O
InChI
InChI=1S/C8H12N2O2/c1-10-4-2-8(6-9,3-5-10)7(11)12/h2-5H2,1H3,(H,11,12)
InChIKey
AOBFKXXJAGHWHG-UHFFFAOYSA-N
Compound name
4-cyano-1-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.08987 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.3
[M+Na]+ 191.07909 142.8
[M-H]- 167.08259 135.0
[M+NH4]+ 186.12369 152.6
[M+K]+ 207.05303 140.4
[M+H-H2O]+ 151.08713 122.8
[M+HCOO]- 213.08807 148.9
[M+CH3COO]- 227.10372 188.2
[M+Na-2H]- 189.06454 139.0
[M]+ 168.08932 125.9
[M]- 168.09042 125.9
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