CID 2734525

134003-04-6

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1[C@H](C=C[C@H]1N)C(=O)O
InChI
InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m0/s1
InChIKey
VTCHZFWYUPZZKL-CRCLSJGQSA-N
Compound name
(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

895
Patents

127.06333 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 124.6
[M+Na]+ 150.05255 131.7
[M-H]- 126.05605 126.6
[M+NH4]+ 145.09715 147.2
[M+K]+ 166.02649 130.4
[M+H-H2O]+ 110.06059 119.7
[M+HCOO]- 172.06153 147.8
[M+CH3COO]- 186.07718 169.3
[M+Na-2H]- 148.03800 127.9
[M]+ 127.06278 120.8
[M]- 127.06388 120.8
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