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

243
Patents

186.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 147.9
[M+Na]+ 209.12605 152.0
[M-H]- 185.12955 148.6
[M+NH4]+ 204.17065 160.9
[M+K]+ 225.09999 154.5
[M+H-H2O]+ 169.13409 137.9
[M+HCOO]- 231.13503 165.2
[M+CH3COO]- 245.15068 184.1
[M+Na-2H]- 207.11150 153.0
[M]+ 186.13628 154.8
[M]- 186.13738 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