CID 5384595

Amino(1-cycloocten-1-yl)acetic acid

Structural Information

Molecular Formula
C10H17NO2
SMILES
C1CCC/C(=C\CC1)/C(C(=O)O)N
InChI
InChI=1S/C10H17NO2/c11-9(10(12)13)8-6-4-2-1-3-5-7-8/h6,9H,1-5,7,11H2,(H,12,13)/b8-6+
InChIKey
LRXGLWRNFLTEBN-SOFGYWHQSA-N
Compound name
2-amino-2-[(1E)-cycloocten-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

183.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 146.6
[M+Na]+ 206.11515 150.1
[M-H]- 182.11865 147.4
[M+NH4]+ 201.15975 154.9
[M+K]+ 222.08909 150.5
[M+H-H2O]+ 166.12319 143.2
[M+HCOO]- 228.12413 155.1
[M+CH3COO]- 242.13978 221.4
[M+Na-2H]- 204.10060 146.0
[M]+ 183.12538 143.8
[M]- 183.12648 143.8
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.