CID 154879378

2408976-25-8

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCOCC2)CO
InChI
InChI=1S/C14H25NO4/c1-12(2,3)19-11(17)15-14(10-16)8-13(9-14)4-6-18-7-5-13/h16H,4-10H2,1-3H3,(H,15,17)
InChIKey
MZKCKJWTOWYGBF-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(hydroxymethyl)-7-oxaspiro[3.5]nonan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 163.6
[M+Na]+ 294.16756 165.4
[M-H]- 270.17106 167.4
[M+NH4]+ 289.21216 175.2
[M+K]+ 310.14150 169.0
[M+H-H2O]+ 254.17560 154.3
[M+HCOO]- 316.17654 177.4
[M+CH3COO]- 330.19219 197.3
[M+Na-2H]- 292.15301 169.4
[M]+ 271.17779 170.0
[M]- 271.17889 170.0
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.