CID 366520

Nsc635129

Structural Information

Molecular Formula
C15H23NO3
SMILES
COC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C15H23NO3/c1-19-14(18)3-2-13(17)16-15-11-5-9-4-10(7-11)8-12(15)6-9/h9-12,15H,2-8H2,1H3,(H,16,17)
InChIKey
QHDRJRSNUXDCSU-UHFFFAOYSA-N
Compound name
methyl 4-(2-adamantylamino)-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 161.8
[M+Na]+ 288.15702 161.3
[M-H]- 264.16052 156.2
[M+NH4]+ 283.20162 182.8
[M+K]+ 304.13096 159.6
[M+H-H2O]+ 248.16506 156.1
[M+HCOO]- 310.16600 167.8
[M+CH3COO]- 324.18165 207.9
[M+Na-2H]- 286.14247 168.9
[M]+ 265.16725 163.0
[M]- 265.16835 163.0
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.