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]+ 169.097146 134.3
[M+Na]+ 191.079088 142.8
[M-H]- 167.082594 135.0
[M+NH4]+ 186.123693 152.6
[M+K]+ 207.053028 140.4
[M+H-H2O]+ 151.087130 122.8
[M+HCOO]- 213.088071 148.9
[M+CH3COO]- 227.103721 188.2
[M+Na-2H]- 189.064536 139.0
[M]+ 168.08932142 125.9
[M]- 168.09041858 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