CID 13491226

Pitwgludzgltdb-uhfffaoysa-n

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC=CC(C1)NCC(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h2,4,7,9H,1,3,5-6H2,(H,10,11)
InChIKey
PITWGLUDZGLTDB-UHFFFAOYSA-N
Compound name
2-(cyclohex-2-en-1-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.9
[M+Na]+ 178.083858 137.3
[M-H]- 154.087364 134.4
[M+NH4]+ 173.128463 152.4
[M+K]+ 194.057798 136.0
[M+H-H2O]+ 138.091900 127.1
[M+HCOO]- 200.092841 154.0
[M+CH3COO]- 214.108491 175.2
[M+Na-2H]- 176.069306 138.1
[M]+ 155.09409142 128.4
[M]- 155.09518858 128.4
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.