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]+ 268.154336 159.1
[M+Na]+ 290.136278 165.2
[M-H]- 266.139784 162.5
[M+NH4]+ 285.180883 171.0
[M+K]+ 306.110218 162.5
[M+H-H2O]+ 250.144320 153.9
[M+HCOO]- 312.145261 175.5
[M+CH3COO]- 326.160911 200.8
[M+Na-2H]- 288.121726 161.8
[M]+ 267.14651142 161.8
[M]- 267.14760858 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.