CID 65353760

2287279-78-9

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C1(CC=CC1)CN
InChI
InChI=1S/C8H13NO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-3H,4-6,9H2,1H3
InChIKey
VKSFVNHEFAUPAB-UHFFFAOYSA-N
Compound name
methyl 1-(aminomethyl)cyclopent-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.2
[M+Na]+ 178.08386 140.0
[M-H]- 154.08736 136.3
[M+NH4]+ 173.12846 157.3
[M+K]+ 194.05780 139.3
[M+H-H2O]+ 138.09190 128.5
[M+HCOO]- 200.09284 157.4
[M+CH3COO]- 214.10849 175.7
[M+Na-2H]- 176.06931 137.9
[M]+ 155.09409 131.9
[M]- 155.09519 131.9
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.