CID 65911325

776330-72-4

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1CCCCCC1
InChI
InChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)11-8-6-4-5-7-9-11/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
PKTCOTNRFSPARU-UHFFFAOYSA-N
Compound name
3-cycloheptyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 165.5
[M+Na]+ 308.18322 168.9
[M+NH4]+ 303.22782 169.6
[M+K]+ 324.15716 168.2
[M-H]- 284.18672 163.8
[M+Na-2H]- 306.16867 166.2
[M]+ 285.19345 165.0
[M]- 285.19455 165.0
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

patents stripe