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]+ 170.117556 138.5
[M+Na]+ 192.099498 142.2
[M-H]- 168.103004 139.4
[M+NH4]+ 187.144103 157.1
[M+K]+ 208.073438 140.8
[M+H-H2O]+ 152.107540 132.7
[M+HCOO]- 214.108481 157.6
[M+CH3COO]- 228.124131 178.5
[M+Na-2H]- 190.084946 140.8
[M]+ 169.10973142 132.7
[M]- 169.11082858 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.