CID 139026865

2361625-37-6

Structural Information

Molecular Formula
C10H15NO2
SMILES
COC(=O)[C@@H](C1=CCC2CC2C1)N
InChI
InChI=1S/C10H15NO2/c1-13-10(12)9(11)7-3-2-6-4-8(6)5-7/h3,6,8-9H,2,4-5,11H2,1H3/t6?,8?,9-/m1/s1
InChIKey
AVTOZYDOBMPRKT-KPIFQKDSSA-N
Compound name
methyl (2R)-2-amino-2-(3-bicyclo[4.1.0]hept-3-enyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 138.6
[M+Na]+ 204.09950 146.4
[M-H]- 180.10300 143.2
[M+NH4]+ 199.14410 154.3
[M+K]+ 220.07344 143.9
[M+H-H2O]+ 164.10754 132.8
[M+HCOO]- 226.10848 159.0
[M+CH3COO]- 240.12413 187.8
[M+Na-2H]- 202.08495 142.7
[M]+ 181.10973 139.5
[M]- 181.11083 139.5
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.