CID 9857193

426226-35-9

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)[C@H]1C[C@H](C=C1)N
InChI
InChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h2-3,5-6H,4,8H2,1H3/t5-,6+/m1/s1
InChIKey
ANVYHALMQXHQSG-RITPCOANSA-N
Compound name
methyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

141.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 128.8
[M+Na]+ 164.06820 136.0
[M-H]- 140.07170 132.1
[M+NH4]+ 159.11280 151.6
[M+K]+ 180.04214 135.4
[M+H-H2O]+ 124.07624 123.5
[M+HCOO]- 186.07718 153.3
[M+CH3COO]- 200.09283 174.3
[M+Na-2H]- 162.05365 132.1
[M]+ 141.07843 127.2
[M]- 141.07953 127.2
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

patents stripe