CID 139022733

2344660-40-6

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N[C@H](C1=CCC2CC2C1)C(=O)O
InChI
InChI=1S/C14H21NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-5-4-8-6-10(8)7-9/h5,8,10-11H,4,6-7H2,1-3H3,(H,15,18)(H,16,17)/t8?,10?,11-/m1/s1
InChIKey
CQNJQBMCXNXBCC-BOBPJJCASA-N
Compound name
(2R)-2-(3-bicyclo[4.1.0]hept-3-enyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 161.1
[M+Na]+ 290.13628 169.6
[M+NH4]+ 285.18088 167.5
[M+K]+ 306.11022 168.4
[M-H]- 266.13978 167.0
[M+Na-2H]- 288.12173 164.8
[M]+ 267.14651 164.7
[M]- 267.14761 164.7
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.