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 159.1
[M+Na]+ 290.13628 165.2
[M-H]- 266.13978 162.5
[M+NH4]+ 285.18088 171.0
[M+K]+ 306.11022 162.5
[M+H-H2O]+ 250.14432 153.9
[M+HCOO]- 312.14526 175.5
[M+CH3COO]- 326.16091 200.8
[M+Na-2H]- 288.12173 161.8
[M]+ 267.14651 161.8
[M]- 267.14761 161.8
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.