CID 71254478

Tert-butyl n-[(3-aminooxetan-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC(C)(C)OC(=O)NCC1(COC1)N
InChI
InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-4-9(10)5-13-6-9/h4-6,10H2,1-3H3,(H,11,12)
InChIKey
JJEGJQVVIXYASG-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-aminooxetan-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

202.13174 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.139016 148.8
[M+Na]+ 225.120958 152.0
[M-H]- 201.124464 152.2
[M+NH4]+ 220.165563 161.1
[M+K]+ 241.094898 156.7
[M+H-H2O]+ 185.129000 138.5
[M+HCOO]- 247.129941 168.3
[M+CH3COO]- 261.145591 190.4
[M+Na-2H]- 223.106406 154.6
[M]+ 202.13119142 157.2
[M]- 202.13228858 157.2
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