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

47
Patents

202.13174 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 148.8
[M+Na]+ 225.12096 152.0
[M-H]- 201.12446 152.2
[M+NH4]+ 220.16556 161.1
[M+K]+ 241.09490 156.7
[M+H-H2O]+ 185.12900 138.5
[M+HCOO]- 247.12994 168.3
[M+CH3COO]- 261.14559 190.4
[M+Na-2H]- 223.10641 154.6
[M]+ 202.13119 157.2
[M]- 202.13229 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