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]+ 217.10053 148.1
[M+Na]+ 239.08247 152.4
[M-H]- 215.08597 149.4
[M+NH4]+ 234.12707 165.2
[M+K]+ 255.05641 150.7
[M+H-H2O]+ 199.09051 141.3
[M+HCOO]- 261.09145 161.4
[M+CH3COO]- 275.10710 188.2
[M+Na-2H]- 237.06792 147.7
[M]+ 216.09270 146.1
[M]- 216.09380 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.