CID 25324058

1000933-99-2

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8-9,14H,4-7H2,1-3H3,(H,13,15)
InChIKey
XBBQALZXPLXYDL-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 164.1
[M+Na]+ 250.14137 162.5
[M+NH4]+ 245.18597 163.9
[M+K]+ 266.11531 161.0
[M-H]- 226.14487 159.0
[M+Na-2H]- 248.12682 162.1
[M]+ 227.15160 160.1
[M]- 227.15270 160.1
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