CID 3064592

Brn 5528811

Structural Information

Molecular Formula
C11H20N2O2S
SMILES
CC(C)([C@@H](C(=O)O)N=C1CCCCN1C)S
InChI
InChI=1S/C11H20N2O2S/c1-11(2,16)9(10(14)15)12-8-6-4-5-7-13(8)3/h9,16H,4-7H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKey
RDXLHBBYFPNXNP-SECBINFHSA-N
Compound name
(2R)-3-methyl-2-[(1-methylpiperidin-2-ylidene)amino]-3-sulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12454 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13182 156.7
[M+Na]+ 267.11376 160.5
[M-H]- 243.11726 157.9
[M+NH4]+ 262.15836 172.8
[M+K]+ 283.08770 158.9
[M+H-H2O]+ 227.12180 150.3
[M+HCOO]- 289.12274 167.8
[M+CH3COO]- 303.13839 194.6
[M+Na-2H]- 265.09921 156.3
[M]+ 244.12399 155.0
[M]- 244.12509 155.0
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

No patent data available for this compound.