CID 91819947

L-3-cyclohex-2'-enylalanine

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CC=C[C@@H](C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H15NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h2,4,7-8H,1,3,5-6,10H2,(H,11,12)/t7-,8-/m0/s1
InChIKey
FKVPHUGFNJWBDU-YUMQZZPRSA-N
Compound name
(2S)-2-amino-3-[(1S)-cyclohex-2-en-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

169.11028 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.5
[M+Na]+ 192.09950 142.2
[M-H]- 168.10300 139.4
[M+NH4]+ 187.14410 157.1
[M+K]+ 208.07344 140.8
[M+H-H2O]+ 152.10754 132.7
[M+HCOO]- 214.10848 157.6
[M+CH3COO]- 228.12413 178.5
[M+Na-2H]- 190.08495 140.8
[M]+ 169.10973 132.7
[M]- 169.11083 132.7
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.