CID 200989

Undecanoic acid, 11-(amidinothio)-, hydrobromide

Structural Information

Molecular Formula
C12H24N2O2S
SMILES
C(CCCCCSC(=N)N)CCCCC(=O)O
InChI
InChI=1S/C12H24N2O2S/c13-12(14)17-10-8-6-4-2-1-3-5-7-9-11(15)16/h1-10H2,(H3,13,14)(H,15,16)
InChIKey
NNTZGEOVPVQDPD-UHFFFAOYSA-N
Compound name
11-carbamimidoylsulfanylundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.15585 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16313 164.0
[M+Na]+ 283.14507 166.3
[M-H]- 259.14857 161.0
[M+NH4]+ 278.18967 179.3
[M+K]+ 299.11901 162.5
[M+H-H2O]+ 243.15311 157.0
[M+HCOO]- 305.15405 178.8
[M+CH3COO]- 319.16970 198.8
[M+Na-2H]- 281.13052 161.5
[M]+ 260.15530 164.9
[M]- 260.15640 164.9
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