CID 382218

Nsc669675

Structural Information

Molecular Formula
C17H26N2O5
SMILES
CC(C(=O)OC12CC3CC(C1)CC(C3)C2)NC(=O)C(CC(=O)O)N
InChI
InChI=1S/C17H26N2O5/c1-9(19-15(22)13(18)5-14(20)21)16(23)24-17-6-10-2-11(7-17)4-12(3-10)8-17/h9-13H,2-8,18H2,1H3,(H,19,22)(H,20,21)
InChIKey
IUYZAAQRKMUTJR-UHFFFAOYSA-N
Compound name
4-[[1-(1-adamantyloxy)-1-oxopropan-2-yl]amino]-3-amino-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.18417 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19145 179.1
[M+Na]+ 361.17339 176.0
[M-H]- 337.17689 170.5
[M+NH4]+ 356.21799 197.0
[M+K]+ 377.14733 175.8
[M+H-H2O]+ 321.18143 174.3
[M+HCOO]- 383.18237 180.5
[M+CH3COO]- 397.19802 220.9
[M+Na-2H]- 359.15884 183.6
[M]+ 338.18362 178.3
[M]- 338.18472 178.3
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.