CID 63302871

1340353-67-4

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)NCC#C
InChI
InChI=1S/C11H18N2O2/c1-5-6-12-9-7-13(8-9)10(14)15-11(2,3)4/h1,9,12H,6-8H2,2-4H3
InChIKey
VFYYZZALLFLCGP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(prop-2-ynylamino)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 147.4
[M+Na]+ 233.126048 153.0
[M-H]- 209.129554 147.9
[M+NH4]+ 228.170653 156.9
[M+K]+ 249.099988 156.1
[M+H-H2O]+ 193.134090 130.6
[M+HCOO]- 255.135031 160.5
[M+CH3COO]- 269.150681 199.4
[M+Na-2H]- 231.111496 149.8
[M]+ 210.13628142 150.1
[M]- 210.13737858 150.1
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

No patent data available for this compound.