CID 2724811

57266-56-5

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C=CC[C@@H]([C@@H]1C(=O)O)N
InChI
InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/t5-,6+/m1/s1
InChIKey
CQINMZNDBYQHKR-RITPCOANSA-N
Compound name
(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

250
Patents

141.07898 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 128.5
[M+Na]+ 164.06820 134.4
[M-H]- 140.07170 130.1
[M+NH4]+ 159.11280 148.7
[M+K]+ 180.04214 133.0
[M+H-H2O]+ 124.07624 123.3
[M+HCOO]- 186.07718 149.4
[M+CH3COO]- 200.09283 172.7
[M+Na-2H]- 162.05365 132.6
[M]+ 141.07843 123.1
[M]- 141.07953 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe