CID 16228708

Tert-butyl n-{6-aminospiro[3.3]heptan-2-yl}carbamate hydrochloride

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)N
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-6-12(7-9)4-8(13)5-12/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKey
XVXPJMGYUOYFOT-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

226.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 155.2
[M+Na]+ 249.15734 156.6
[M-H]- 225.16084 159.5
[M+NH4]+ 244.20194 161.3
[M+K]+ 265.13128 161.8
[M+H-H2O]+ 209.16538 140.4
[M+HCOO]- 271.16632 171.3
[M+CH3COO]- 285.18197 204.8
[M+Na-2H]- 247.14279 157.5
[M]+ 226.16757 168.6
[M]- 226.16867 168.6
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