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 163.0
[M+Na]+ 308.18322 162.1
[M-H]- 284.18672 164.8
[M+NH4]+ 303.22782 176.2
[M+K]+ 324.15716 166.9
[M+H-H2O]+ 268.19126 157.4
[M+HCOO]- 330.19220 177.2
[M+CH3COO]- 344.20785 201.0
[M+Na-2H]- 306.16867 162.6
[M]+ 285.19345 157.0
[M]- 285.19455 157.0
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