CID 3064591

N-(1-methyl-2-piperidinylidene)-l-cysteine

Structural Information

Molecular Formula
C9H16N2O2S
SMILES
CN1CCCCC1=N[C@@H](CS)C(=O)O
InChI
InChI=1S/C9H16N2O2S/c1-11-5-3-2-4-8(11)10-7(6-14)9(12)13/h7,14H,2-6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKey
FMIMPBWKZHVTMJ-ZETCQYMHSA-N
Compound name
(2R)-2-[(1-methylpiperidin-2-ylidene)amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09325 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.100526 148.1
[M+Na]+ 239.082468 152.4
[M-H]- 215.085974 149.4
[M+NH4]+ 234.127073 165.2
[M+K]+ 255.056408 150.7
[M+H-H2O]+ 199.090510 141.3
[M+HCOO]- 261.091451 161.4
[M+CH3COO]- 275.107101 188.2
[M+Na-2H]- 237.067916 147.7
[M]+ 216.09270142 146.1
[M]- 216.09379858 146.1
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

No patent data available for this compound.