CID 22924362

Tert-butyl n-(3-methylazetidin-3-yl)carbamate hydrochloride

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC1(CNC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-9(4)5-10-6-9/h10H,5-6H2,1-4H3,(H,11,12)
InChIKey
BFHSUIWEPMCBQR-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-methylazetidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

186.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 147.9
[M+Na]+ 209.126048 152.0
[M-H]- 185.129554 148.6
[M+NH4]+ 204.170653 160.9
[M+K]+ 225.099988 154.5
[M+H-H2O]+ 169.134090 137.9
[M+HCOO]- 231.135031 165.2
[M+CH3COO]- 245.150681 184.1
[M+Na-2H]- 207.111496 153.0
[M]+ 186.13628142 154.8
[M]- 186.13737858 154.8
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