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]+ 254.17508 158.6
[M+Na]+ 276.15702 166.1
[M-H]- 252.16052 161.7
[M+NH4]+ 271.20162 184.9
[M+K]+ 292.13096 164.3
[M+H-H2O]+ 236.16506 156.3
[M+HCOO]- 298.16600 178.0
[M+CH3COO]- 312.18165 199.5
[M+Na-2H]- 274.14247 159.9
[M]+ 253.16725 160.8
[M]- 253.16835 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.