CID 72207715

Cis-3-(boc-amino)-2,2-dimethylcyclobutylamine

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC1([C@@H](C[C@@H]1NC(=O)OC(C)(C)C)N)C
InChI
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-6-7(12)11(8,4)5/h7-8H,6,12H2,1-5H3,(H,13,14)/t7-,8+/m1/s1
InChIKey
LMCOQMMIAHCCFN-SFYZADRCSA-N
Compound name
tert-butyl N-[(1S,3R)-3-amino-2,2-dimethylcyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

214.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 156.3
[M+Na]+ 237.157338 160.6
[M-H]- 213.160844 159.4
[M+NH4]+ 232.201943 170.0
[M+K]+ 253.131278 163.4
[M+H-H2O]+ 197.165380 146.6
[M+HCOO]- 259.166321 175.7
[M+CH3COO]- 273.181971 196.6
[M+Na-2H]- 235.142786 158.5
[M]+ 214.16757142 164.1
[M]- 214.16866858 164.1
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

No patent data available for this compound.