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]+ 211.14411 147.4
[M+Na]+ 233.12605 153.0
[M-H]- 209.12955 147.9
[M+NH4]+ 228.17065 156.9
[M+K]+ 249.09999 156.1
[M+H-H2O]+ 193.13409 130.6
[M+HCOO]- 255.13503 160.5
[M+CH3COO]- 269.15068 199.4
[M+Na-2H]- 231.11150 149.8
[M]+ 210.13628 150.1
[M]- 210.13738 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.