CID 84052644

1035351-07-5

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC(C)(C)OC(=O)NCC1(CNC1)O
InChI
InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-6-9(13)4-10-5-9/h10,13H,4-6H2,1-3H3,(H,11,12)
InChIKey
MVFWQSPXPWBTKA-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-hydroxyazetidin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 151.8
[M+Na]+ 225.120958 155.2
[M-H]- 201.124464 150.9
[M+NH4]+ 220.165563 163.2
[M+K]+ 241.094898 157.3
[M+H-H2O]+ 185.129000 141.6
[M+HCOO]- 247.129941 167.7
[M+CH3COO]- 261.145591 183.8
[M+Na-2H]- 223.106406 156.3
[M]+ 202.13119142 158.2
[M]- 202.13228858 158.2
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