CID 105484066

2173991-80-3

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NCC1CC2(C1)CNC2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-9-4-12(5-9)7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKey
DHTWBJNTKXLVRO-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-azaspiro[3.3]heptan-6-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.7
[M+Na]+ 249.15734 156.1
[M-H]- 225.16084 156.7
[M+NH4]+ 244.20194 159.4
[M+K]+ 265.13128 160.5
[M+H-H2O]+ 209.16538 139.9
[M+HCOO]- 271.16632 168.3
[M+CH3COO]- 285.18197 200.0
[M+Na-2H]- 247.14279 158.1
[M]+ 226.16757 168.3
[M]- 226.16867 168.3
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