CID 131520493

Tert-butyl n-[trans-2-methylazetidin-3-yl]carbamate

Structural Information

Molecular Formula
C9H18N2O2
SMILES
C[C@@H]1[C@H](CN1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H18N2O2/c1-6-7(5-10-6)11-8(12)13-9(2,3)4/h6-7,10H,5H2,1-4H3,(H,11,12)/t6-,7+/m1/s1
InChIKey
LXXPLHYWFLINDJ-RQJHMYQMSA-N
Compound name
tert-butyl N-[(2R,3S)-2-methylazetidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.13683 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 147.1
[M+Na]+ 209.12605 151.2
[M-H]- 185.12955 147.7
[M+NH4]+ 204.17065 158.4
[M+K]+ 225.09999 153.6
[M+H-H2O]+ 169.13409 135.9
[M+HCOO]- 231.13503 164.4
[M+CH3COO]- 245.15068 185.7
[M+Na-2H]- 207.11150 150.3
[M]+ 186.13628 154.0
[M]- 186.13738 154.0
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