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

101
Patents

226.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 155.2
[M+Na]+ 249.157338 156.6
[M-H]- 225.160844 159.5
[M+NH4]+ 244.201943 161.3
[M+K]+ 265.131278 161.8
[M+H-H2O]+ 209.165380 140.4
[M+HCOO]- 271.166321 171.3
[M+CH3COO]- 285.181971 204.8
[M+Na-2H]- 247.142786 157.5
[M]+ 226.16757142 168.6
[M]- 226.16866858 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