CID 165686053

Tert-butyl n-({6-hydroxyspiro[3.3]heptan-2-yl}methyl)carbamate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)NCC1CC2(C1)CC(C2)O
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-9-4-13(5-9)6-10(15)7-13/h9-10,15H,4-8H2,1-3H3,(H,14,16)
InChIKey
JUVCGBMIALEVAH-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-hydroxyspiro[3.3]heptan-6-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 155.9
[M+Na]+ 264.15702 157.5
[M-H]- 240.16052 159.4
[M+NH4]+ 259.20162 161.5
[M+K]+ 280.13096 162.2
[M+H-H2O]+ 224.16506 142.1
[M+HCOO]- 286.16600 170.4
[M+CH3COO]- 300.18165 203.2
[M+Na-2H]- 262.14247 158.4
[M]+ 241.16725 171.0
[M]- 241.16835 171.0
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.