CID 56394

N-(2-oxo-3-bornyl)alanine methyl ester hydrochloride

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C(=O)OC)NC1C2CCC(C1=O)(C2(C)C)C
InChI
InChI=1S/C14H23NO3/c1-8(12(17)18-5)15-10-9-6-7-14(4,11(10)16)13(9,2)3/h8-10,15H,6-7H2,1-5H3
InChIKey
JFSDFIWPAPHXIP-UHFFFAOYSA-N
Compound name
methyl 2-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 158.6
[M+Na]+ 276.157018 166.1
[M-H]- 252.160524 161.7
[M+NH4]+ 271.201623 184.9
[M+K]+ 292.130958 164.3
[M+H-H2O]+ 236.165060 156.3
[M+HCOO]- 298.166001 178.0
[M+CH3COO]- 312.181651 199.5
[M+Na-2H]- 274.142466 159.9
[M]+ 253.16725142 160.8
[M]- 253.16834858 160.8
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.